<?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:programSubversion">
                  <scalar dataType="xsd:string">304</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2020-05-08</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">Jun11-2024 08:29:31</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">0.76</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.05</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">1.54</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">Jun11-2024 08:29:31  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:33  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:programSubversion">
                  <scalar dataType="xsd:string">304</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2020-05-08</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">Jun11-2024 08:29:35</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="808" startLine="806">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="811" startLine="810">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="819" startLine="813">
                     <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">1.49</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.06</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">2.24</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="10">1 2 3 1 2 3 1 2 3 4</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="10">2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="10"
                            units="nonsi:electronvolt">-14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="10">S S S P P P D 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="10">D S P P S D P S D D</array>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="10">1 1 1 2 2 2 3 3 3 4</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="10">10.00 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="10"
                            units="nonsi:electronvolt">-40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918</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">As</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">3.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="1">10.0000</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">Jun11-2024 08:29:31  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:33  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:35  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:37  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Arsenic (TZP, 3p 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:programSubversion">
                  <scalar dataType="xsd:string">304</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2020-05-08</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">Jun11-2024 08:29:40</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="1691" startLine="1689">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="1694" startLine="1693">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="1702" startLine="1696">
                     <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">1.59</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.06</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">2.34</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">Jun11-2024 08:29:31  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:33  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:35  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:37  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Arsenic (TZP, 3p frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:40  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:43  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:programSubversion">
                  <scalar dataType="xsd:string">304</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2020-05-08</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">Jun11-2024 08:29:46</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="2647" startLine="2645">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="2650" startLine="2649">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="2658" startLine="2652">
                     <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">2.69</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.07</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">3.39</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">Jun11-2024 08:29:31  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:33  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:35  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:37  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Arsenic (TZP, 3p frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:40  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:43  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">Jun11-2024 08:29:46  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:49  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:programSubversion">
                  <scalar dataType="xsd:string">304</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2020-05-08</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">Jun11-2024 08:29:53</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</scalar>
               </parameter>
               <parameter dictRef="cc:nodeName">
                  <array dataType="xsd:string" size="5">c3-19 c3-19 c3-19 c3-19 c3-19</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="3747" startLine="3745">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="3750" startLine="3749">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="3758" startLine="3752">
                     <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">1.00</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.05</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">1.53</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">Jun11-2024 08:29:31  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:33  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:35  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:37  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Arsenic (TZP, 3p frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:40  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:43  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">Jun11-2024 08:29:46  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:49  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">Jun11-2024 08:29:53  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:54  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:programSubversion">
                  <scalar dataType="xsd:string">304</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2020-05-08</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">Jun11-2024 08:29:58</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="Mo"
                        id="a1"
                        x3="0.1190"
                        y3="-2.5246"
                        z3="2.5246"/>
                  <atom elementType="O"
                        id="a2"
                        x3="3.9276"
                        y3="-3.9276"
                        z3="-0.2598"/>
                  <atom elementType="Mo"
                        id="a3"
                        x3="0.1190"
                        y3="2.5246"
                        z3="-2.5246"/>
                  <atom elementType="Mo"
                        id="a4"
                        x3="-0.1190"
                        y3="2.5246"
                        z3="2.5246"/>
                  <atom elementType="Mo"
                        id="a5"
                        x3="2.5246"
                        y3="-2.5246"
                        z3="0.1190"/>
                  <atom elementType="Mo"
                        id="a6"
                        x3="2.5246"
                        y3="2.5246"
                        z3="-0.1190"/>
                  <atom elementType="W"
                        id="a7"
                        x3="-2.5246"
                        y3="2.5246"
                        z3="0.1190"/>
                  <atom elementType="O" id="a8" x3="3.9276" y3="3.9276" z3="0.2598"/>
                  <atom elementType="O"
                        id="a9"
                        x3="-3.9276"
                        y3="3.9276"
                        z3="-0.2598"/>
                  <atom elementType="Mo"
                        id="a10"
                        x3="-2.5246"
                        y3="0.1190"
                        z3="2.5246"/>
                  <atom elementType="Mo"
                        id="a11"
                        x3="2.5246"
                        y3="-0.1190"
                        z3="2.5246"/>
                  <atom elementType="W"
                        id="a12"
                        x3="2.5246"
                        y3="0.1190"
                        z3="-2.5246"/>
                  <atom elementType="O"
                        id="a13"
                        x3="1.0161"
                        y3="-1.0161"
                        z3="1.0161"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-1.0161"
                        y3="-1.0161"
                        z3="-1.0161"/>
                  <atom elementType="O"
                        id="a15"
                        x3="1.0161"
                        y3="1.0161"
                        z3="-1.0161"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-1.0161"
                        y3="1.0161"
                        z3="1.0161"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-3.0017"
                        y3="-1.1468"
                        z3="1.1468"/>
                  <atom elementType="O"
                        id="a18"
                        x3="3.0017"
                        y3="-1.1468"
                        z3="-1.1468"/>
                  <atom elementType="O"
                        id="a19"
                        x3="3.9276"
                        y3="0.2598"
                        z3="3.9276"/>
                  <atom elementType="O"
                        id="a20"
                        x3="3.0017"
                        y3="1.1468"
                        z3="1.1468"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.2598"
                        y3="3.9276"
                        z3="3.9276"/>
                  <atom elementType="O"
                        id="a22"
                        x3="1.1468"
                        y3="1.1468"
                        z3="3.0017"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-1.1468"
                        y3="1.1468"
                        z3="-3.0017"/>
                  <atom elementType="O"
                        id="a24"
                        x3="-1.1468"
                        y3="-1.1468"
                        z3="3.0017"/>
                  <atom elementType="O"
                        id="a25"
                        x3="-1.1468"
                        y3="3.0017"
                        z3="-1.1468"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.2598"
                        y3="3.9276"
                        z3="-3.9276"/>
                  <atom elementType="O"
                        id="a27"
                        x3="1.1468"
                        y3="3.0017"
                        z3="1.1468"/>
                  <atom elementType="O"
                        id="a28"
                        x3="1.1468"
                        y3="-3.0017"
                        z3="-1.1468"/>
                  <atom elementType="O"
                        id="a29"
                        x3="3.4220"
                        y3="-1.5167"
                        z3="1.5167"/>
                  <atom elementType="O"
                        id="a30"
                        x3="3.9276"
                        y3="-0.2598"
                        z3="-3.9276"/>
                  <atom elementType="O"
                        id="a31"
                        x3="3.4220"
                        y3="1.5167"
                        z3="-1.5167"/>
                  <atom elementType="O"
                        id="a32"
                        x3="-3.4220"
                        y3="1.5167"
                        z3="1.5167"/>
                  <atom elementType="O"
                        id="a33"
                        x3="1.5167"
                        y3="-1.5167"
                        z3="3.4220"/>
                  <atom elementType="O"
                        id="a34"
                        x3="1.5167"
                        y3="1.5167"
                        z3="-3.4220"/>
                  <atom elementType="O"
                        id="a35"
                        x3="-1.5167"
                        y3="1.5167"
                        z3="3.4220"/>
                  <atom elementType="As"
                        id="a36"
                        x3="0.0000"
                        y3="0.0000"
                        z3="0.0000"/>
                  <atom elementType="O"
                        id="a37"
                        x3="-3.9276"
                        y3="-0.2598"
                        z3="3.9276"/>
                  <atom elementType="O"
                        id="a38"
                        x3="-1.5167"
                        y3="3.4220"
                        z3="1.5167"/>
                  <atom elementType="O"
                        id="a39"
                        x3="1.5167"
                        y3="-3.4220"
                        z3="1.5167"/>
                  <atom elementType="O"
                        id="a40"
                        x3="1.5167"
                        y3="3.4220"
                        z3="-1.5167"/>
                  <atom elementType="O"
                        id="a41"
                        x3="-0.2598"
                        y3="-3.9276"
                        z3="3.9276"/>
                  <atom elementType="H"
                        id="a42"
                        x3="-1.7884"
                        y3="1.5933"
                        z3="-3.6087"/>
                  <atom elementType="H"
                        id="a43"
                        x3="-3.5622"
                        y3="-1.8214"
                        z3="1.6059"/>
                  <atom elementType="H"
                        id="a44"
                        x3="1.2634"
                        y3="-3.9739"
                        z3="-1.2923"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a1 a41" order="S"/>
                  <bond atomRefs2="a1 a33" order="S"/>
                  <bond atomRefs2="a1 a39" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a25" order="S"/>
                  <bond atomRefs2="a3 a26" order="S"/>
                  <bond atomRefs2="a3 a23" order="S"/>
                  <bond atomRefs2="a3 a40" order="S"/>
                  <bond atomRefs2="a3 a34" order="S"/>
                  <bond atomRefs2="a4 a21" order="S"/>
                  <bond atomRefs2="a4 a38" order="S"/>
                  <bond atomRefs2="a4 a35" order="S"/>
                  <bond atomRefs2="a4 a27" order="S"/>
                  <bond atomRefs2="a4 a22" order="S"/>
                  <bond atomRefs2="a5 a29" order="S"/>
                  <bond atomRefs2="a5 a39" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a28" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a40" order="S"/>
                  <bond atomRefs2="a6 a31" order="S"/>
                  <bond atomRefs2="a6 a20" order="S"/>
                  <bond atomRefs2="a6 a27" order="S"/>
                  <bond atomRefs2="a7 a32" order="S"/>
                  <bond atomRefs2="a7 a38" order="S"/>
                  <bond atomRefs2="a7 a25" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a10 a32" order="S"/>
                  <bond atomRefs2="a10 a24" order="S"/>
                  <bond atomRefs2="a10 a37" order="S"/>
                  <bond atomRefs2="a10 a17" order="S"/>
                  <bond atomRefs2="a10 a35" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a22" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a12 a31" order="S"/>
                  <bond atomRefs2="a12 a34" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a30" order="S"/>
                  <bond atomRefs2="a13 a36" order="S"/>
                  <bond atomRefs2="a14 a36" order="S"/>
                  <bond atomRefs2="a15 a36" order="S"/>
                  <bond atomRefs2="a16 a36" order="S"/>
                  <bond atomRefs2="a17 a43" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
               </bondArray>
               <formula concise="H3AsMo7O31W2"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1610.1629999999977</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.119,-2.5246,2.5246;3.9276,-3.9276,-.2598;.119,2.5246,-2.5246;-.119,2.5246,2.5246;2.5246,-2.5246,.119;2.5246,2.5246,-.119;-2.5246,2.5246,.119;3.9276,3.9276,.2598;-3.9276,3.9276,-.2598;-2.5246,.119,2.5246;2.5246,-.119,2.5246;2.5246,.119,-2.5246;1.0161,-1.0161,1.0161;-1.0161,-1.0161,-1.0161;1.0161,1.0161,-1.0161;-1.0161,1.0161,1.0161;-3.0017,-1.1468,1.1468;3.0017,-1.1468,-1.1468;3.9276,.2598,3.9276;3.0017,1.1468,1.1468;.2598,3.9276,3.9276;1.1468,1.1468,3.0017;-1.1468,1.1468,-3.0017;-1.1468,-1.1468,3.0017;-1.1468,3.0017,-1.1468;-.2598,3.9276,-3.9276;1.1468,3.0017,1.1468;1.1468,-3.0017,-1.1468;3.422,-1.5167,1.5167;3.9276,-.2598,-3.9276;3.422,1.5167,-1.5167;-3.422,1.5167,1.5167;1.5167,-1.5167,3.422;1.5167,1.5167,-3.422;-1.5167,1.5167,3.422;;-3.9276,-.2598,3.9276;-1.5167,3.422,1.5167;1.5167,-3.422,1.5167;1.5167,3.422,-1.5167;-.2598,-3.9276,3.9276;-1.7884,1.5933,-3.6087;-3.5622,-1.8214,1.6059;1.2634,-3.9739,-1.2923;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="4626" startLine="4624">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="4630" startLine="4628">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="4639" startLine="4632">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="solvation" dictRef="cc:userDefinedModule">
                  <list id="cosmo">
                     <scalar dataType="xsd:integer" dictRef="a:ndiv">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:nfdiv">1</scalar>
                     <scalar dataType="xsd:double" dictRef="a:rsol" units="nonsi:angstrom">1.93000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:epsl">78.39000</scalar>
                     <scalar dataType="xsd:string" dictRef="a:cosmomethod">conjugate-gradient</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ncix">1000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ccnv">1.0E-08</scalar>
                     <scalar dataType="xsd:double" dictRef="a:gdsf">0.00000</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="fragment.files" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="Mo" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.Mo</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019.304</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Jun11-2024 08:29:43</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Molybdenum</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">3d</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="O" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.O</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019.304</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Jun11-2024 08:29:54</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="W" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.W</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019.304</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Jun11-2024 08:29:49</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">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="As" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.As</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019.304</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Jun11-2024 08:29:37</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">Arsenic</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">3p</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 2019.304</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Jun11-2024 08:29:33</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">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">-11.80512681</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.26578574</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">0.10538364</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">0.26578574</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10538364</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.17522722</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">0.05260946</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.165476"
                                 y3="-2.50639"
                                 z3="2.575721"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.801093"
                                 y3="-3.818029"
                                 z3="-0.230412"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.112203"
                                 y3="2.512759"
                                 z3="-2.531598"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.105582"
                                 y3="2.515062"
                                 z3="2.54793"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.516884"
                                 y3="-2.530894"
                                 z3="0.115884"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.513021"
                                 y3="2.546181"
                                 z3="-0.108429"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.501374"
                                 y3="2.580442"
                                 z3="0.16918"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.786058"
                                 y3="3.847953"
                                 z3="0.242843"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.752373"
                                 y3="3.877394"
                                 z3="-0.162548"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.531215"
                                 y3="0.117383"
                                 z3="2.51695"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.546588"
                                 y3="-0.107142"
                                 z3="2.514782"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.574892"
                                 y3="0.165251"
                                 z3="-2.502785"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.003086"
                                 y3="-1.005616"
                                 z3="1.010625"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.012102"
                                 y3="-1.009169"
                                 z3="-1.015411"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.009768"
                                 y3="0.999878"
                                 z3="-1.006954"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.006549"
                                 y3="1.012295"
                                 z3="1.001791"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.026746"
                                 y3="-1.097972"
                                 z3="1.108459"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.964993"
                                 y3="-1.119726"
                                 z3="-1.16021"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.847791"
                                 y3="0.245964"
                                 z3="3.789527"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.996593"
                                 y3="1.162875"
                                 z3="1.142655"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.248915"
                                 y3="3.78792"
                                 z3="3.849011"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.163287"
                                 y3="1.143962"
                                 z3="2.997928"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.103885"
                                 y3="1.10377"
                                 z3="-3.022667"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.123218"
                                 y3="-1.159598"
                                 z3="2.974033"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.162455"
                                 y3="2.971215"
                                 z3="-1.117564"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.251344"
                                 y3="3.796798"
                                 z3="-3.811303"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.143817"
                                 y3="2.99723"
                                 z3="1.162624"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.119314"
                                 y3="-3.012822"
                                 z3="-1.116271"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.421139"
                                 y3="-1.504005"
                                 z3="1.49345"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.870707"
                                 y3="-0.165999"
                                 z3="-3.754838"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.43172"
                                 y3="1.540616"
                                 z3="-1.523275"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.399831"
                                 y3="1.551705"
                                 z3="1.504635"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.547587"
                                 y3="-1.518058"
                                 z3="3.434695"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.545569"
                                 y3="1.499521"
                                 z3="-3.401381"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.502016"
                                 y3="1.49297"
                                 z3="3.421143"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.045746"
                                 y3="-0.047847"
                                 z3="-0.0444"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.809906"
                                 y3="-0.245424"
                                 z3="3.803518"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.519996"
                                 y3="3.4359"
                                 z3="1.544279"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.509507"
                                 y3="-3.406679"
                                 z3="1.546606"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.488958"
                                 y3="3.417655"
                                 z3="-1.504854"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.173559"
                                 y3="-3.770819"
                                 z3="3.878389"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.765511"
                                 y3="1.498181"
                                 z3="-3.640254"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.598989"
                                 y3="-1.79246"
                                 z3="1.514384"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.196929"
                                 y3="-3.983533"
                                 z3="-1.280288"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.1655,-2.5064,2.5757;3.8011,-3.818,-.2304;.1122,2.5128,-2.5316;-.1056,2.5151,2.5479;2.5169,-2.5309,.1159;2.513,2.5462,-.1084;-2.5014,2.5804,.1692;3.7861,3.848,.2428;-3.7524,3.8774,-.1625;-2.5312,.1174,2.517;2.5466,-.1071,2.5148;2.5749,.1653,-2.5028;1.0031,-1.0056,1.0106;-1.0121,-1.0092,-1.0154;1.0098,.9999,-1.007;-1.0065,1.0123,1.0018;-3.0267,-1.098,1.1085;2.965,-1.1197,-1.1602;3.8478,.246,3.7895;2.9966,1.1629,1.1427;.2489,3.7879,3.849;1.1633,1.144,2.9979;-1.1039,1.1038,-3.0227;-1.1232,-1.1596,2.974;-1.1625,2.9712,-1.1176;-.2513,3.7968,-3.8113;1.1438,2.9972,1.1626;1.1193,-3.0128,-1.1163;3.4211,-1.504,1.4934;3.8707,-.166,-3.7548;3.4317,1.5406,-1.5233;-3.3998,1.5517,1.5046;1.5476,-1.5181,3.4347;1.5456,1.4995,-3.4014;-1.502,1.493,3.4211;-.0457,-.0478,-.0444;-3.8099,-.2454,3.8035;-1.52,3.4359,1.5443;1.5095,-3.4067,1.5466;1.489,3.4177,-1.5049;-.1736,-3.7708,3.8784;-1.7655,1.4982,-3.6403;-3.599,-1.7925,1.5144;1.1969,-3.9835,-1.2803;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">2</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">2</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-12.20646556</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.19228092</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">0.07365174</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">0.19228092</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07365174</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.29939098</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">0.09561378</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.262612"
                                 y3="-2.469564"
                                 z3="2.676336"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.548472"
                                 y3="-3.613965"
                                 z3="-0.180545"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.098216"
                                 y3="2.492971"
                                 z3="-2.550904"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.083173"
                                 y3="2.509688"
                                 z3="2.593452"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.497348"
                                 y3="-2.550064"
                                 z3="0.107087"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.502816"
                                 y3="2.58973"
                                 z3="-0.088961"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.456854"
                                 y3="2.682596"
                                 z3="0.274003"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.536692"
                                 y3="3.684335"
                                 z3="0.201497"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.452982"
                                 y3="3.787804"
                                 z3="-0.003298"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.547437"
                                 y3="0.109722"
                                 z3="2.503933"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.589231"
                                 y3="-0.087181"
                                 z3="2.506956"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.671138"
                                 y3="0.265725"
                                 z3="-2.4593"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.973176"
                                 y3="-0.981078"
                                 z3="1.001583"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.022461"
                                 y3="-1.018684"
                                 z3="-1.01854"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.997457"
                                 y3="0.967869"
                                 z3="-0.984053"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.983037"
                                 y3="1.003863"
                                 z3="0.973039"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.052169"
                                 y3="-1.038688"
                                 z3="1.048878"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.883411"
                                 y3="-1.072996"
                                 z3="-1.175652"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.683772"
                                 y3="0.206777"
                                 z3="3.542882"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.001393"
                                 y3="1.189515"
                                 z3="1.142973"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.212997"
                                 y3="3.543969"
                                 z3="3.686194"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.189574"
                                 y3="1.14752"
                                 z3="3.005912"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.050319"
                                 y3="1.038016"
                                 z3="-3.049324"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.074263"
                                 y3="-1.178367"
                                 z3="2.909622"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.181537"
                                 y3="2.898571"
                                 z3="-1.066504"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.232339"
                                 y3="3.54251"
                                 z3="-3.596972"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.145567"
                                 y3="3.005166"
                                 z3="1.188404"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.062551"
                                 y3="-3.04047"
                                 z3="-1.071145"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.421365"
                                 y3="-1.495623"
                                 z3="1.46167"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.773977"
                                 y3="-0.012254"
                                 z3="-3.456828"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.482613"
                                 y3="1.595358"
                                 z3="-1.528005"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.391119"
                                 y3="1.610976"
                                 z3="1.502793"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.608093"
                                 y3="-1.520542"
                                 z3="3.48614"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.599891"
                                 y3="1.490924"
                                 z3="-3.395311"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.490194"
                                 y3="1.464148"
                                 z3="3.425061"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.113396"
                                 y3="-0.116641"
                                 z3="-0.107842"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.591339"
                                 y3="-0.220516"
                                 z3="3.558517"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.521701"
                                 y3="3.492218"
                                 z3="1.602988"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.504956"
                                 y3="-3.402507"
                                 z3="1.606478"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.453767"
                                 y3="3.4163"
                                 z3="-1.497333"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.022185"
                                 y3="-3.474267"
                                 z3="3.777467"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.740002"
                                 y3="1.332479"
                                 z3="-3.684347"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.646544"
                                 y3="-1.760111"
                                 z3="1.35167"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.085466"
                                 y3="-3.996532"
                                 z3="-1.295072"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.2626,-2.4696,2.6763;3.5485,-3.614,-.1805;.0982,2.493,-2.5509;-.0832,2.5097,2.5935;2.4973,-2.5501,.1071;2.5028,2.5897,-.089;-2.4569,2.6826,.274;3.5367,3.6843,.2015;-3.453,3.7878,-.0033;-2.5474,.1097,2.5039;2.5892,-.0872,2.507;2.6711,.2657,-2.4593;.9732,-.9811,1.0016;-1.0225,-1.0187,-1.0185;.9975,.9679,-.9841;-.983,1.0039,.973;-3.0522,-1.0387,1.0489;2.8834,-1.073,-1.1757;3.6838,.2068,3.5429;3.0014,1.1895,1.143;.213,3.544,3.6862;1.1896,1.1475,3.0059;-1.0503,1.038,-3.0493;-1.0743,-1.1784,2.9096;-1.1815,2.8986,-1.0665;-.2323,3.5425,-3.597;1.1456,3.0052,1.1884;1.0626,-3.0405,-1.0711;3.4214,-1.4956,1.4617;3.774,-.0123,-3.4568;3.4826,1.5954,-1.528;-3.3911,1.611,1.5028;1.6081,-1.5205,3.4861;1.5999,1.4909,-3.3953;-1.4902,1.4641,3.4251;-.1134,-.1166,-.1078;-3.5913,-.2205,3.5585;-1.5217,3.4922,1.603;1.505,-3.4025,1.6065;1.4538,3.4163,-1.4973;-.0222,-3.4743,3.7775;-1.74,1.3325,-3.6843;-3.6465,-1.7601,1.3517;1.0855,-3.9965,-1.2951;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">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">-11.98237337</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.48283474</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">0.20127064</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">0.48283474</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.20127064</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.19790752</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">0.06311604</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.239399"
                                 y3="-2.478456"
                                 z3="2.660188"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.691515"
                                 y3="-3.787551"
                                 z3="-0.232806"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.096203"
                                 y3="2.481052"
                                 z3="-2.553043"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.091902"
                                 y3="2.50255"
                                 z3="2.593492"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.487266"
                                 y3="-2.552701"
                                 z3="0.104364"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.496471"
                                 y3="2.589382"
                                 z3="-0.096952"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.467891"
                                 y3="2.665814"
                                 z3="0.249959"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.681171"
                                 y3="3.846313"
                                 z3="0.23321"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.650889"
                                 y3="3.944601"
                                 z3="-0.0801"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.550162"
                                 y3="0.106572"
                                 z3="2.493269"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.588837"
                                 y3="-0.096138"
                                 z3="2.500991"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.656725"
                                 y3="0.241236"
                                 z3="-2.46939"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.982024"
                                 y3="-0.98803"
                                 z3="1.0094"/>
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                                 id="a14"
                                 x3="-1.030736"
                                 y3="-1.027006"
                                 z3="-1.027116"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.005588"
                                 y3="0.976916"
                                 z3="-0.989239"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.988712"
                                 y3="1.010961"
                                 z3="0.982849"/>
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                                 id="a17"
                                 x3="-3.048858"
                                 y3="-1.062666"
                                 z3="1.046618"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.904116"
                                 y3="-1.101877"
                                 z3="-1.170658"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.844341"
                                 y3="0.238054"
                                 z3="3.686645"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.004666"
                                 y3="1.187731"
                                 z3="1.13377"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.24464"
                                 y3="3.687897"
                                 z3="3.848099"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.188056"
                                 y3="1.136435"
                                 z3="3.009471"/>
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                                 id="a23"
                                 x3="-1.072641"
                                 y3="1.032752"
                                 z3="-3.044428"/>
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                                 id="a24"
                                 x3="-1.102672"
                                 y3="-1.17325"
                                 z3="2.925224"/>
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                                 id="a25"
                                 x3="-1.176141"
                                 y3="2.914669"
                                 z3="-1.096326"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.282599"
                                 y3="3.688971"
                                 z3="-3.771663"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.134986"
                                 y3="3.008209"
                                 z3="1.187456"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.056179"
                                 y3="-3.037275"
                                 z3="-1.088617"/>
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                                 id="a29"
                                 x3="3.423746"
                                 y3="-1.51088"
                                 z3="1.461528"/>
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                                 id="a30"
                                 x3="3.934173"
                                 y3="-0.089829"
                                 z3="-3.653746"/>
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                                 id="a31"
                                 x3="3.476839"
                                 y3="1.606024"
                                 z3="-1.520869"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.410094"
                                 y3="1.577866"
                                 z3="1.486842"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.615304"
                                 y3="-1.516784"
                                 z3="3.479029"/>
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                                 id="a34"
                                 x3="1.568054"
                                 y3="1.47425"
                                 z3="-3.413329"/>
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                                 id="a35"
                                 x3="-1.506148"
                                 y3="1.463271"
                                 z3="3.427634"/>
                           <atom elementType="As"
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                                 x3="-0.085212"
                                 y3="-0.088138"
                                 z3="-0.079945"/>
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                                 id="a37"
                                 x3="-3.76463"
                                 y3="-0.27046"
                                 z3="3.706157"/>
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                                 id="a38"
                                 x3="-1.51587"
                                 y3="3.484867"
                                 z3="1.613681"/>
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                                 id="a39"
                                 x3="1.488496"
                                 y3="-3.419078"
                                 z3="1.574716"/>
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                                 id="a40"
                                 x3="1.453982"
                                 y3="3.418289"
                                 z3="-1.512866"/>
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                                 id="a41"
                                 x3="-0.095006"
                                 y3="-3.657938"
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                                 id="a42"
                                 x3="-1.74615"
                                 y3="1.355394"
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                                 id="a43"
                                 x3="-3.650021"
                                 y3="-1.766976"
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                           <atom elementType="H"
                                 id="a44"
                                 x3="1.107055"
                                 y3="-3.996343"
                                 z3="-1.304545"/>
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                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.2394,-2.4785,2.6602;3.6915,-3.7876,-.2328;.0962,2.4811,-2.553;-.0919,2.5025,2.5935;2.4873,-2.5527,.1044;2.4965,2.5894,-.097;-2.4679,2.6658,.25;3.6812,3.8463,.2332;-3.6509,3.9446,-.0801;-2.5502,.1066,2.4933;2.5888,-.0961,2.501;2.6567,.2412,-2.4694;.982,-.988,1.0094;-1.0307,-1.027,-1.0271;1.0056,.9769,-.9892;-.9887,1.011,.9828;-3.0489,-1.0627,1.0466;2.9041,-1.1019,-1.1707;3.8443,.2381,3.6866;3.0047,1.1877,1.1338;.2446,3.6879,3.8481;1.1881,1.1364,3.0095;-1.0726,1.0328,-3.0444;-1.1027,-1.1732,2.9252;-1.1761,2.9147,-1.0963;-.2826,3.689,-3.7717;1.135,3.0082,1.1875;1.0562,-3.0373,-1.0886;3.4237,-1.5109,1.4615;3.9342,-.0898,-3.6537;3.4768,1.606,-1.5209;-3.4101,1.5779,1.4868;1.6153,-1.5168,3.479;1.5681,1.4743,-3.4133;-1.5061,1.4633,3.4276;-.0852,-.0881,-.0799;-3.7646,-.2705,3.7062;-1.5159,3.4849,1.6137;1.4885,-3.4191,1.5747;1.454,3.4183,-1.5129;-.095,-3.6579,3.9219;-1.7462,1.3554,-3.6859;-3.65,-1.767,1.3806;1.1071,-3.9963,-1.3045;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">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">-12.35200669</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.11575206</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">0.03745798</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">0.11575206</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03745798</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08889242</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">0.03134669</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.287086"
                                 y3="-2.451282"
                                 z3="2.71324"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.615011"
                                 y3="-3.78022"
                                 z3="-0.248241"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.081609"
                                 y3="2.450239"
                                 z3="-2.565849"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.080957"
                                 y3="2.492724"
                                 z3="2.626492"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.456621"
                                 y3="-2.565534"
                                 z3="0.091444"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.483595"
                                 y3="2.621165"
                                 z3="-0.086755"/>
                           <atom elementType="W"
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                                 x3="-2.437095"
                                 y3="2.717172"
                                 z3="0.300678"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.623846"
                                 y3="3.86224"
                                 z3="0.229368"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.575357"
                                 y3="3.983203"
                                 z3="-0.03662"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.561712"
                                 y3="0.095395"
                                 z3="2.467465"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.619483"
                                 y3="-0.086847"
                                 z3="2.489576"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.706641"
                                 y3="0.29039"
                                 z3="-2.438713"/>
                           <atom elementType="O"
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                                 x3="0.969534"
                                 y3="-0.972453"
                                 z3="1.012309"/>
                           <atom elementType="O"
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                                 y3="-1.037128"
                                 z3="-1.032233"/>
                           <atom elementType="O"
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                                 y3="0.964266"
                                 z3="-0.973802"/>
                           <atom elementType="O"
                                 id="a16"
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                                 y3="1.01428"
                                 z3="0.972444"/>
                           <atom elementType="O"
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                                 y3="-1.052182"
                                 z3="1.00443"/>
                           <atom elementType="O"
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                                 y3="-1.09142"
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                                 y3="0.235392"
                                 z3="3.629698"/>
                           <atom elementType="O"
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                                 x3="3.014698"
                                 y3="1.205451"
                                 z3="1.127362"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.243217"
                                 y3="3.63443"
                                 z3="3.864179"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.205276"
                                 y3="1.131484"
                                 z3="3.022046"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.063821"
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                                 z3="-3.046688"/>
                           <atom elementType="O"
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                                 x3="-1.091146"
                                 y3="-1.178011"
                                 z3="2.887381"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.181583"
                                 y3="2.87031"
                                 z3="-1.084561"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.312604"
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                                 z3="-3.758693"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.128559"
                                 y3="3.020981"
                                 z3="1.204999"/>
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                                 id="a28"
                                 x3="1.008816"
                                 y3="-3.044574"
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                                 id="a29"
                                 x3="3.418799"
                                 y3="-1.518761"
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                                 id="a30"
                                 x3="3.971292"
                                 y3="-0.049154"
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                           <atom elementType="O"
                                 id="a31"
                                 x3="3.506482"
                                 y3="1.650966"
                                 z3="-1.508317"/>
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                                 id="a32"
                                 x3="-3.418834"
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                                 id="a33"
                                 x3="1.661383"
                                 y3="-1.506083"
                                 z3="3.508258"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.574671"
                                 y3="1.444692"
                                 z3="-3.422883"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.513725"
                                 y3="1.445127"
                                 z3="3.425425"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.098308"
                                 y3="-0.101189"
                                 z3="-0.090609"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.749489"
                                 y3="-0.29549"
                                 z3="3.637066"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.502729"
                                 y3="3.516648"
                                 z3="1.66001"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.461694"
                                 y3="-3.427974"
                                 z3="1.584784"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.432032"
                                 y3="3.412682"
                                 z3="-1.522158"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.052343"
                                 y3="-3.584585"
                                 z3="3.959518"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.738587"
                                 y3="1.266502"
                                 z3="-3.705016"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.672443"
                                 y3="-1.7558"
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                           <atom elementType="H"
                                 id="a44"
                                 x3="1.055408"
                                 y3="-3.992142"
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                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.2871,-2.4513,2.7132;3.615,-3.7802,-.2482;.0816,2.4502,-2.5658;-.081,2.4927,2.6265;2.4566,-2.5655,.0914;2.4836,2.6212,-.0868;-2.4371,2.7172,.3007;3.6238,3.8622,.2294;-3.5754,3.9832,-.0366;-2.5617,.0954,2.4675;2.6195,-.0868,2.4896;2.7066,.2904,-2.4387;.9695,-.9725,1.0123;-1.0416,-1.0371,-1.0322;1.0072,.9643,-.9738;-.973,1.0143,.9724;-3.0508,-1.0522,1.0044;2.8572,-1.0914,-1.1752;3.8596,.2354,3.6297;3.0147,1.2055,1.1274;.2432,3.6344,3.8642;1.2053,1.1315,3.022;-1.0638,.9843,-3.0467;-1.0911,-1.178,2.8874;-1.1816,2.8703,-1.0846;-.3126,3.6132,-3.7587;1.1286,3.021,1.205;1.0088,-3.0446,-1.0786;3.4188,-1.5188,1.4396;3.9713,-.0492,-3.5778;3.5065,1.651,-1.5083;-3.4188,1.5862,1.4606;1.6614,-1.5061,3.5083;1.5747,1.4447,-3.4229;-1.5137,1.4451,3.4254;-.0983,-.1012,-.0906;-3.7495,-.2955,3.6371;-1.5027,3.5166,1.66;1.4617,-3.428,1.5848;1.432,3.4127,-1.5222;-.0523,-3.5846,3.9595;-1.7386,1.2665,-3.705;-3.6724,-1.7558,1.2989;1.0554,-3.9921,-1.3389;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">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">-12.38893371</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05585348</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">0.01447656</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">0.05585348</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01447656</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03326900</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">0.01306821</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.307692"
                                 y3="-2.43665"
                                 z3="2.735425"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.587657"
                                 y3="-3.784407"
                                 z3="-0.255347"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.074338"
                                 y3="2.435886"
                                 z3="-2.572626"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.074389"
                                 y3="2.485587"
                                 z3="2.643723"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.442218"
                                 y3="-2.571909"
                                 z3="0.084457"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.474905"
                                 y3="2.637812"
                                 z3="-0.080571"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.420781"
                                 y3="2.737456"
                                 z3="0.322365"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.602784"
                                 y3="3.879265"
                                 z3="0.229964"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.542577"
                                 y3="3.994493"
                                 z3="-0.027583"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.567965"
                                 y3="0.089834"
                                 z3="2.456148"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.635167"
                                 y3="-0.081338"
                                 z3="2.481785"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.726675"
                                 y3="0.311508"
                                 z3="-2.422502"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.964576"
                                 y3="-0.965149"
                                 z3="1.012921"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.04615"
                                 y3="-1.04109"
                                 z3="-1.033502"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.007284"
                                 y3="0.959557"
                                 z3="-0.966571"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.965559"
                                 y3="1.015079"
                                 z3="0.968925"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.055296"
                                 y3="-1.054622"
                                 z3="0.994367"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.834846"
                                 y3="-1.087955"
                                 z3="-1.177071"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.876156"
                                 y3="0.23688"
                                 z3="3.608833"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.019411"
                                 y3="1.214595"
                                 z3="1.123788"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.245363"
                                 y3="3.615272"
                                 z3="3.881179"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.213961"
                                 y3="1.128469"
                                 z3="3.028596"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.066296"
                                 y3="0.969535"
                                 z3="-3.050427"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.087514"
                                 y3="-1.179839"
                                 z3="2.869385"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.18372"
                                 y3="2.848574"
                                 z3="-1.080981"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.325388"
                                 y3="3.586299"
                                 z3="-3.76042"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.124653"
                                 y3="3.027581"
                                 z3="1.21391"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.993796"
                                 y3="-3.052031"
                                 z3="-1.078999"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.413336"
                                 y3="-1.523186"
                                 z3="1.431755"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.98246"
                                 y3="-0.041322"
                                 z3="-3.544562"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.520928"
                                 y3="1.672496"
                                 z3="-1.498718"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.422455"
                                 y3="1.587014"
                                 z3="1.444177"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.682605"
                                 y3="-1.49799"
                                 z3="3.522187"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.574668"
                                 y3="1.426476"
                                 z3="-3.426967"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.518463"
                                 y3="1.439504"
                                 z3="3.421607"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.102036"
                                 y3="-0.104582"
                                 z3="-0.09315"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.750225"
                                 y3="-0.304623"
                                 z3="3.614602"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.492733"
                                 y3="3.531908"
                                 z3="1.681878"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.444599"
                                 y3="-3.431208"
                                 z3="1.586264"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.424548"
                                 y3="3.406977"
                                 z3="-1.527894"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.042688"
                                 y3="-3.556559"
                                 z3="3.977335"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.736515"
                                 y3="1.236925"
                                 z3="-3.719346"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.690549"
                                 y3="-1.751352"
                                 z3="1.275617"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.050175"
                                 y3="-3.99047"
                                 z3="-1.368355"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3077,-2.4367,2.7354;3.5877,-3.7844,-.2553;.0743,2.4359,-2.5726;-.0744,2.4856,2.6437;2.4422,-2.5719,.0845;2.4749,2.6378,-.0806;-2.4208,2.7375,.3224;3.6028,3.8793,.23;-3.5426,3.9945,-.0276;-2.568,.0898,2.4561;2.6352,-.0813,2.4818;2.7267,.3115,-2.4225;.9646,-.9651,1.0129;-1.0461,-1.0411,-1.0335;1.0073,.9596,-.9666;-.9656,1.0151,.9689;-3.0553,-1.0546,.9944;2.8348,-1.088,-1.1771;3.8762,.2369,3.6088;3.0194,1.2146,1.1238;.2454,3.6153,3.8812;1.214,1.1285,3.0286;-1.0663,.9695,-3.0504;-1.0875,-1.1798,2.8694;-1.1837,2.8486,-1.081;-.3254,3.5863,-3.7604;1.1247,3.0276,1.2139;.9938,-3.052,-1.079;3.4133,-1.5232,1.4318;3.9825,-.0413,-3.5446;3.5209,1.6725,-1.4987;-3.4225,1.587,1.4442;1.6826,-1.498,3.5222;1.5747,1.4265,-3.427;-1.5185,1.4395,3.4216;-.102,-.1046,-.0931;-3.7502,-.3046,3.6146;-1.4927,3.5319,1.6819;1.4446,-3.4312,1.5863;1.4245,3.407,-1.5279;-.0427,-3.5566,3.9773;-1.7365,1.2369,-3.7193;-3.6905,-1.7514,1.2756;1.0502,-3.9905,-1.3684;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">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">-12.39574979</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03068982</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">0.00948393</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">0.03068982</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00948393</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08576342</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">0.02668340</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.3498"
                                 y3="-2.400779"
                                 z3="2.780136"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.548387"
                                 y3="-3.800755"
                                 z3="-0.260653"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.058818"
                                 y3="2.412309"
                                 z3="-2.588092"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.058328"
                                 y3="2.461895"
                                 z3="2.685413"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.415251"
                                 y3="-2.587626"
                                 z3="0.070005"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.449645"
                                 y3="2.676311"
                                 z3="-0.064875"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.383938"
                                 y3="2.770885"
                                 z3="0.363466"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.561837"
                                 y3="3.924207"
                                 z3="0.234584"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.491288"
                                 y3="4.012178"
                                 z3="-0.031823"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.583287"
                                 y3="0.07564"
                                 z3="2.437104"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.673918"
                                 y3="-0.066627"
                                 z3="2.458171"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.759259"
                                 y3="0.350073"
                                 z3="-2.386026"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.956452"
                                 y3="-0.951118"
                                 z3="1.012259"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.056125"
                                 y3="-1.050001"
                                 z3="-1.03387"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.002667"
                                 y3="0.951629"
                                 z3="-0.952507"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.951151"
                                 y3="1.011921"
                                 z3="0.964022"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.078285"
                                 y3="-1.076043"
                                 z3="0.996469"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.789977"
                                 y3="-1.084694"
                                 z3="-1.179335"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.923832"
                                 y3="0.24534"
                                 z3="3.565199"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.028836"
                                 y3="1.23402"
                                 z3="1.11398"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.253082"
                                 y3="3.575353"
                                 z3="3.929259"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.23379"
                                 y3="1.119966"
                                 z3="3.041295"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.086463"
                                 y3="0.964221"
                                 z3="-3.071351"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.081448"
                                 y3="-1.182869"
                                 z3="2.83464"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.18674"
                                 y3="2.806912"
                                 z3="-1.076067"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.337183"
                                 y3="3.554974"
                                 z3="-3.770697"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.114221"
                                 y3="3.039619"
                                 z3="1.234103"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.980195"
                                 y3="-3.086012"
                                 z3="-1.086323"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.397335"
                                 y3="-1.532123"
                                 z3="1.421677"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.999471"
                                 y3="-0.050975"
                                 z3="-3.492281"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.550798"
                                 y3="1.714344"
                                 z3="-1.472988"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.423964"
                                 y3="1.581143"
                                 z3="1.403768"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.727026"
                                 y3="-1.473312"
                                 z3="3.553366"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.568536"
                                 y3="1.38324"
                                 z3="-3.428793"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.529272"
                                 y3="1.432162"
                                 z3="3.408982"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.109399"
                                 y3="-0.111075"
                                 z3="-0.097042"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.759717"
                                 y3="-0.313864"
                                 z3="3.589458"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.466633"
                                 y3="3.562063"
                                 z3="1.727049"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.403056"
                                 y3="-3.43029"
                                 z3="1.588833"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.416451"
                                 y3="3.390289"
                                 z3="-1.539503"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.04166"
                                 y3="-3.504816"
                                 z3="4.013913"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.732679"
                                 y3="1.206554"
                                 z3="-3.77272"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.753277"
                                 y3="-1.742557"
                                 z3="1.257514"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.081696"
                                 y3="-3.993013"
                                 z3="-1.454119"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3498,-2.4008,2.7801;3.5484,-3.8008,-.2607;.0588,2.4123,-2.5881;-.0583,2.4619,2.6854;2.4153,-2.5876,.07;2.4496,2.6763,-.0649;-2.3839,2.7709,.3635;3.5618,3.9242,.2346;-3.4913,4.0122,-.0318;-2.5833,.0756,2.4371;2.6739,-.0666,2.4582;2.7593,.3501,-2.386;.9565,-.9511,1.0123;-1.0561,-1.05,-1.0339;1.0027,.9516,-.9525;-.9512,1.0119,.964;-3.0783,-1.076,.9965;2.79,-1.0847,-1.1793;3.9238,.2453,3.5652;3.0288,1.234,1.114;.2531,3.5754,3.9293;1.2338,1.12,3.0413;-1.0865,.9642,-3.0714;-1.0814,-1.1829,2.8346;-1.1867,2.8069,-1.0761;-.3372,3.555,-3.7707;1.1142,3.0396,1.2341;.9802,-3.086,-1.0863;3.3973,-1.5321,1.4217;3.9995,-.051,-3.4923;3.5508,1.7143,-1.473;-3.424,1.5811,1.4038;1.727,-1.4733,3.5534;1.5685,1.3832,-3.4288;-1.5293,1.4322,3.409;-.1094,-.1111,-.097;-3.7597,-.3139,3.5895;-1.4666,3.5621,1.727;1.4031,-3.4303,1.5888;1.4165,3.3903,-1.5395;-.0417,-3.5048,4.0139;-1.7327,1.2066,-3.7727;-3.7533,-1.7426,1.2575;1.0817,-3.993,-1.4541;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">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">-12.40443295</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02939101</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">0.00860804</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">0.02939101</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00860804</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09541921</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">0.02284769</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.375524"
                                 y3="-2.373161"
                                 z3="2.813937"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.549464"
                                 y3="-3.811334"
                                 z3="-0.246266"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.049386"
                                 y3="2.407674"
                                 z3="-2.599674"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.047008"
                                 y3="2.434159"
                                 z3="2.718574"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.402307"
                                 y3="-2.600801"
                                 z3="0.063059"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.424059"
                                 y3="2.704489"
                                 z3="-0.053182"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.361554"
                                 y3="2.781254"
                                 z3="0.381928"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.537376"
                                 y3="3.959193"
                                 z3="0.240424"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.480585"
                                 y3="4.004594"
                                 z3="-0.059588"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.595657"
                                 y3="0.062287"
                                 z3="2.434182"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.707896"
                                 y3="-0.054528"
                                 z3="2.433593"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.770822"
                                 y3="0.364248"
                                 z3="-2.363169"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.951989"
                                 y3="-0.947464"
                                 z3="1.011011"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.066269"
                                 y3="-1.062474"
                                 z3="-1.038337"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.993496"
                                 y3="0.945592"
                                 z3="-0.949039"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.947678"
                                 y3="1.002324"
                                 z3="0.961528"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.113225"
                                 y3="-1.110186"
                                 z3="1.029052"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.767661"
                                 y3="-1.092274"
                                 z3="-1.179872"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.969879"
                                 y3="0.256492"
                                 z3="3.534695"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.032289"
                                 y3="1.244332"
                                 z3="1.106024"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.259388"
                                 y3="3.547198"
                                 z3="3.970355"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.248037"
                                 y3="1.113529"
                                 z3="3.045843"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.116045"
                                 y3="0.995191"
                                 z3="-3.107993"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.081983"
                                 y3="-1.184637"
                                 z3="2.822721"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.189575"
                                 y3="2.788098"
                                 z3="-1.080219"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.316303"
                                 y3="3.572604"
                                 z3="-3.77643"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.106472"
                                 y3="3.041736"
                                 z3="1.247098"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.991417"
                                 y3="-3.128069"
                                 z3="-1.097598"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.383525"
                                 y3="-1.538003"
                                 z3="1.426776"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.992847"
                                 y3="-0.087255"
                                 z3="-3.479055"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.569213"
                                 y3="1.727851"
                                 z3="-1.453094"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.411338"
                                 y3="1.568384"
                                 z3="1.379005"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.75231"
                                 y3="-1.447433"
                                 z3="3.580713"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.559956"
                                 y3="1.357459"
                                 z3="-3.415428"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.535652"
                                 y3="1.433427"
                                 z3="3.397487"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.117313"
                                 y3="-0.120554"
                                 z3="-0.101849"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.76614"
                                 y3="-0.300245"
                                 z3="3.606951"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.447845"
                                 y3="3.577005"
                                 z3="1.746519"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.375282"
                                 y3="-3.414455"
                                 z3="1.594826"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.421791"
                                 y3="3.375377"
                                 z3="-1.544563"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.057817"
                                 y3="-3.47989"
                                 z3="4.039455"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.725444"
                                 y3="1.228461"
                                 z3="-3.844381"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.831705"
                                 y3="-1.7342"
                                 z3="1.279121"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.150248"
                                 y3="-3.987296"
                                 z3="-1.549538"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3755,-2.3732,2.8139;3.5495,-3.8113,-.2463;.0494,2.4077,-2.5997;-.047,2.4342,2.7186;2.4023,-2.6008,.0631;2.4241,2.7045,-.0532;-2.3616,2.7813,.3819;3.5374,3.9592,.2404;-3.4806,4.0046,-.0596;-2.5957,.0623,2.4342;2.7079,-.0545,2.4336;2.7708,.3642,-2.3632;.952,-.9475,1.011;-1.0663,-1.0625,-1.0383;.9935,.9456,-.949;-.9477,1.0023,.9615;-3.1132,-1.1102,1.0291;2.7677,-1.0923,-1.1799;3.9699,.2565,3.5347;3.0323,1.2443,1.106;.2594,3.5472,3.9704;1.248,1.1135,3.0458;-1.116,.9952,-3.108;-1.082,-1.1846,2.8227;-1.1896,2.7881,-1.0802;-.3163,3.5726,-3.7764;1.1065,3.0417,1.2471;.9914,-3.1281,-1.0976;3.3835,-1.538,1.4268;3.9928,-.0873,-3.4791;3.5692,1.7279,-1.4531;-3.4113,1.5684,1.379;1.7523,-1.4474,3.5807;1.56,1.3575,-3.4154;-1.5357,1.4334,3.3975;-.1173,-.1206,-.1018;-3.7661,-.3002,3.607;-1.4478,3.577,1.7465;1.3753,-3.4145,1.5948;1.4218,3.3754,-1.5446;-.0578,-3.4799,4.0395;-1.7254,1.2285,-3.8444;-3.8317,-1.7342,1.2791;1.1502,-3.9873,-1.5495;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">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">-12.41036233</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01928098</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">0.00677745</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">0.01928098</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00677745</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08231888</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">0.02145572</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.385696"
                                 y3="-2.356946"
                                 z3="2.8363"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.575834"
                                 y3="-3.809974"
                                 z3="-0.224353"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.042083"
                                 y3="2.408004"
                                 z3="-2.607272"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.040204"
                                 y3="2.408146"
                                 z3="2.744745"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.397756"
                                 y3="-2.610867"
                                 z3="0.059833"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.399764"
                                 y3="2.726242"
                                 z3="-0.04617"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.350215"
                                 y3="2.78251"
                                 z3="0.387142"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.521906"
                                 y3="3.986298"
                                 z3="0.245691"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.496304"
                                 y3="3.987577"
                                 z3="-0.087959"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.604195"
                                 y3="0.05181"
                                 z3="2.439013"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.73561"
                                 y3="-0.048043"
                                 z3="2.410567"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.774192"
                                 y3="0.36417"
                                 z3="-2.350846"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.950367"
                                 y3="-0.952442"
                                 z3="1.00957"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.071302"
                                 y3="-1.068841"
                                 z3="-1.044125"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.986357"
                                 y3="0.940808"
                                 z3="-0.953575"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.952496"
                                 y3="0.993985"
                                 z3="0.960599"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.152363"
                                 y3="-1.142584"
                                 z3="1.070275"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.765023"
                                 y3="-1.108819"
                                 z3="-1.180587"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.006239"
                                 y3="0.264528"
                                 z3="3.515601"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.031615"
                                 y3="1.248956"
                                 z3="1.101421"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.264471"
                                 y3="3.529425"
                                 z3="4.002461"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.257236"
                                 y3="1.109651"
                                 z3="3.045916"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.143877"
                                 y3="1.030495"
                                 z3="-3.147827"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.091005"
                                 y3="-1.186777"
                                 z3="2.825302"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.193689"
                                 y3="2.782386"
                                 z3="-1.092346"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.280341"
                                 y3="3.607566"
                                 z3="-3.775483"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.102382"
                                 y3="3.038908"
                                 z3="1.254676"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.012293"
                                 y3="-3.172622"
                                 z3="-1.107948"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.37533"
                                 y3="-1.542026"
                                 z3="1.438531"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.978249"
                                 y3="-0.124277"
                                 z3="-3.492031"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.578757"
                                 y3="1.724339"
                                 z3="-1.438832"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.393098"
                                 y3="1.55623"
                                 z3="1.371621"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.759323"
                                 y3="-1.426136"
                                 z3="3.600782"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.551364"
                                 y3="1.34669"
                                 z3="-3.395978"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.53723"
                                 y3="1.438973"
                                 z3="3.391477"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.121335"
                                 y3="-0.127587"
                                 z3="-0.104737"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.766247"
                                 y3="-0.268658"
                                 z3="3.645057"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.434015"
                                 y3="3.583719"
                                 z3="1.747908"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.361878"
                                 y3="-3.393129"
                                 z3="1.59901"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.429613"
                                 y3="3.365127"
                                 z3="-1.545547"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.08051"
                                 y3="-3.479622"
                                 z3="4.050538"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.715548"
                                 y3="1.260261"
                                 z3="-3.914961"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.910202"
                                 y3="-1.720821"
                                 z3="1.313995"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.224338"
                                 y3="-3.977929"
                                 z3="-1.631857"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3857,-2.3569,2.8363;3.5758,-3.81,-.2244;.0421,2.408,-2.6073;-.0402,2.4081,2.7447;2.3978,-2.6109,.0598;2.3998,2.7262,-.0462;-2.3502,2.7825,.3871;3.5219,3.9863,.2457;-3.4963,3.9876,-.088;-2.6042,.0518,2.439;2.7356,-.048,2.4106;2.7742,.3642,-2.3508;.9504,-.9524,1.0096;-1.0713,-1.0688,-1.0441;.9864,.9408,-.9536;-.9525,.994,.9606;-3.1524,-1.1426,1.0703;2.765,-1.1088,-1.1806;4.0062,.2645,3.5156;3.0316,1.249,1.1014;.2645,3.5294,4.0025;1.2572,1.1097,3.0459;-1.1439,1.0305,-3.1478;-1.091,-1.1868,2.8253;-1.1937,2.7824,-1.0923;-.2803,3.6076,-3.7755;1.1024,3.0389,1.2547;1.0123,-3.1726,-1.1079;3.3753,-1.542,1.4385;3.9782,-.1243,-3.492;3.5788,1.7243,-1.4388;-3.3931,1.5562,1.3716;1.7593,-1.4261,3.6008;1.5514,1.3467,-3.396;-1.5372,1.439,3.3915;-.1213,-.1276,-.1047;-3.7662,-.2687,3.6451;-1.434,3.5837,1.7479;1.3619,-3.3931,1.599;1.4296,3.3651,-1.5455;-.0805,-3.4796,4.0505;-1.7155,1.2603,-3.915;-3.9102,-1.7208,1.314;1.2243,-3.9779,-1.6319;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">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">-12.41366934</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02426343</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">0.00740497</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">0.02426343</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00740497</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02753081</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">0.00641748</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.389505"
                                 y3="-2.350802"
                                 z3="2.845609"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.581296"
                                 y3="-3.801434"
                                 z3="-0.223645"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.037001"
                                 y3="2.401217"
                                 z3="-2.608895"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.038651"
                                 y3="2.400082"
                                 z3="2.757108"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.390504"
                                 y3="-2.612959"
                                 z3="0.057101"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.391475"
                                 y3="2.737448"
                                 z3="-0.044555"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.344284"
                                 y3="2.785487"
                                 z3="0.390541"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.516557"
                                 y3="3.997102"
                                 z3="0.245238"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.501227"
                                 y3="3.980759"
                                 z3="-0.085808"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.60541"
                                 y3="0.046033"
                                 z3="2.435126"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.748489"
                                 y3="-0.047088"
                                 z3="2.40291"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.778546"
                                 y3="0.365931"
                                 z3="-2.344245"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.950387"
                                 y3="-0.954006"
                                 z3="1.011192"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.070162"
                                 y3="-1.068152"
                                 z3="-1.041006"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.987037"
                                 y3="0.9392"
                                 z3="-0.954954"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.953774"
                                 y3="0.993963"
                                 z3="0.960805"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.16555"
                                 y3="-1.15043"
                                 z3="1.073806"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.761279"
                                 y3="-1.115721"
                                 z3="-1.180772"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.019713"
                                 y3="0.264155"
                                 z3="3.510038"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.034655"
                                 y3="1.251467"
                                 z3="1.101161"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.264354"
                                 y3="3.524591"
                                 z3="4.014062"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.26134"
                                 y3="1.109619"
                                 z3="3.049853"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.149571"
                                 y3="1.031205"
                                 z3="-3.165096"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.0960"
                                 y3="-1.187993"
                                 z3="2.822416"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.195523"
                                 y3="2.776366"
                                 z3="-1.097922"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.268177"
                                 y3="3.610672"
                                 z3="-3.77224"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.102277"
                                 y3="3.041872"
                                 z3="1.25801"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.007111"
                                 y3="-3.187682"
                                 z3="-1.105523"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.375816"
                                 y3="-1.544517"
                                 z3="1.440765"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.973108"
                                 y3="-0.123877"
                                 z3="-3.49537"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.581883"
                                 y3="1.722736"
                                 z3="-1.434547"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.386548"
                                 y3="1.55401"
                                 z3="1.37122"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.759858"
                                 y3="-1.419741"
                                 z3="3.607642"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.550567"
                                 y3="1.343936"
                                 z3="-3.38959"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.537499"
                                 y3="1.438772"
                                 z3="3.392494"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.119159"
                                 y3="-0.126645"
                                 z3="-0.101932"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.763011"
                                 y3="-0.257025"
                                 z3="3.65057"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.429612"
                                 y3="3.586482"
                                 z3="1.747137"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.358863"
                                 y3="-3.386391"
                                 z3="1.600786"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.428931"
                                 y3="3.364478"
                                 z3="-1.54608"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.079373"
                                 y3="-3.481624"
                                 z3="4.052359"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.708134"
                                 y3="1.258472"
                                 z3="-3.942492"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.934805"
                                 y3="-1.715539"
                                 z3="1.312969"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.229419"
                                 y3="-3.975729"
                                 z3="-1.650645"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3895,-2.3508,2.8456;3.5813,-3.8014,-.2236;.037,2.4012,-2.6089;-.0387,2.4001,2.7571;2.3905,-2.613,.0571;2.3915,2.7374,-.0446;-2.3443,2.7855,.3905;3.5166,3.9971,.2452;-3.5012,3.9808,-.0858;-2.6054,.046,2.4351;2.7485,-.0471,2.4029;2.7785,.3659,-2.3442;.9504,-.954,1.0112;-1.0702,-1.0682,-1.041;.987,.9392,-.955;-.9538,.994,.9608;-3.1656,-1.1504,1.0738;2.7613,-1.1157,-1.1808;4.0197,.2642,3.51;3.0347,1.2515,1.1012;.2644,3.5246,4.0141;1.2613,1.1096,3.0499;-1.1496,1.0312,-3.1651;-1.096,-1.188,2.8224;-1.1955,2.7764,-1.0979;-.2682,3.6107,-3.7722;1.1023,3.0419,1.258;1.0071,-3.1877,-1.1055;3.3758,-1.5445,1.4408;3.9731,-.1239,-3.4954;3.5819,1.7227,-1.4345;-3.3865,1.554,1.3712;1.7599,-1.4197,3.6076;1.5506,1.3439,-3.3896;-1.5375,1.4388,3.3925;-.1192,-.1266,-.1019;-3.763,-.257,3.6506;-1.4296,3.5865,1.7471;1.3589,-3.3864,1.6008;1.4289,3.3645,-1.5461;-.0794,-3.4816,4.0524;-1.7081,1.2585,-3.9425;-3.9348,-1.7155,1.313;1.2294,-3.9757,-1.6506;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">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">-12.41522836</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02317798</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">0.00705815</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">0.02317798</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00705815</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10979201</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">0.02525074</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.395394"
                                 y3="-2.33482"
                                 z3="2.872697"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.610749"
                                 y3="-3.742678"
                                 z3="-0.229931"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.015686"
                                 y3="2.370531"
                                 z3="-2.611477"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.035014"
                                 y3="2.371955"
                                 z3="2.802182"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.364101"
                                 y3="-2.618161"
                                 z3="0.049077"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.360729"
                                 y3="2.779766"
                                 z3="-0.040933"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.324328"
                                 y3="2.793874"
                                 z3="0.399258"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.499782"
                                 y3="4.024313"
                                 z3="0.243589"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.525039"
                                 y3="3.945156"
                                 z3="-0.05997"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.60563"
                                 y3="0.023963"
                                 z3="2.419571"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.794143"
                                 y3="-0.046511"
                                 z3="2.374057"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.7923"
                                 y3="0.367632"
                                 z3="-2.320732"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.950856"
                                 y3="-0.963237"
                                 z3="1.012609"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.067306"
                                 y3="-1.060359"
                                 z3="-1.034619"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.990352"
                                 y3="0.933306"
                                 z3="-0.96276"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.961371"
                                 y3="0.994395"
                                 z3="0.961552"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.225181"
                                 y3="-1.171879"
                                 z3="1.085105"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.758906"
                                 y3="-1.151538"
                                 z3="-1.183885"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.050396"
                                 y3="0.261588"
                                 z3="3.494929"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.046761"
                                 y3="1.259919"
                                 z3="1.104983"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.263944"
                                 y3="3.512548"
                                 z3="4.041745"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.274241"
                                 y3="1.114106"
                                 z3="3.0660"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.165266"
                                 y3="1.027054"
                                 z3="-3.238577"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.124128"
                                 y3="-1.196202"
                                 z3="2.819169"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.206108"
                                 y3="2.760092"
                                 z3="-1.1271"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.215994"
                                 y3="3.616734"
                                 z3="-3.745547"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.106613"
                                 y3="3.054771"
                                 z3="1.268555"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.98717"
                                 y3="-3.253052"
                                 z3="-1.086061"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.388264"
                                 y3="-1.550872"
                                 z3="1.453726"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.94602"
                                 y3="-0.104416"
                                 z3="-3.513729"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.591818"
                                 y3="1.70832"
                                 z3="-1.419427"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.360932"
                                 y3="1.550571"
                                 z3="1.38457"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.74716"
                                 y3="-1.398939"
                                 z3="3.628728"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.550791"
                                 y3="1.344171"
                                 z3="-3.364398"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.53221"
                                 y3="1.440716"
                                 z3="3.407008"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.11195"
                                 y3="-0.123979"
                                 z3="-0.09404"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.73606"
                                 y3="-0.201904"
                                 z3="3.670311"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.413268"
                                 y3="3.596545"
                                 z3="1.733899"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.363699"
                                 y3="-3.362549"
                                 z3="1.608987"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.426377"
                                 y3="3.371802"
                                 z3="-1.543689"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.064449"
                                 y3="-3.501682"
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                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.672478"
                                 y3="1.24707"
                                 z3="-4.052284"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.031412"
                                 y3="-1.688828"
                                 z3="1.310954"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.235368"
                                 y3="-3.980596"
                                 z3="-1.699894"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3954,-2.3348,2.8727;3.6107,-3.7427,-.2299;.0157,2.3705,-2.6115;-.035,2.372,2.8022;2.3641,-2.6182,.0491;2.3607,2.7798,-.0409;-2.3243,2.7939,.3993;3.4998,4.0243,.2436;-3.525,3.9452,-.06;-2.6056,.024,2.4196;2.7941,-.0465,2.3741;2.7923,.3676,-2.3207;.9509,-.9632,1.0126;-1.0673,-1.0604,-1.0346;.9904,.9333,-.9628;-.9614,.9944,.9616;-3.2252,-1.1719,1.0851;2.7589,-1.1515,-1.1839;4.0504,.2616,3.4949;3.0468,1.2599,1.105;.2639,3.5125,4.0417;1.2742,1.1141,3.066;-1.1653,1.0271,-3.2386;-1.1241,-1.1962,2.8192;-1.2061,2.7601,-1.1271;-.216,3.6167,-3.7455;1.1066,3.0548,1.2686;.9872,-3.2531,-1.0861;3.3883,-1.5509,1.4537;3.946,-.1044,-3.5137;3.5918,1.7083,-1.4194;-3.3609,1.5506,1.3846;1.7472,-1.3989,3.6287;1.5508,1.3442,-3.3644;-1.5322,1.4407,3.407;-.1119,-.124,-.094;-3.7361,-.2019,3.6703;-1.4133,3.5965,1.7339;1.3637,-3.3625,1.609;1.4264,3.3718,-1.5437;-.0644,-3.5017,4.0414;-1.6725,1.2471,-4.0523;-4.0314,-1.6888,1.311;1.2354,-3.9806,-1.6999;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">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">-12.42013223</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01145701</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">0.00357510</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">0.01145701</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00357510</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01777933</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">0.00595868</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.392615"
                                 y3="-2.338427"
                                 z3="2.870139"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.611629"
                                 y3="-3.731329"
                                 z3="-0.231047"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.015156"
                                 y3="2.36745"
                                 z3="-2.609156"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.03708"
                                 y3="2.375762"
                                 z3="2.803649"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.361519"
                                 y3="-2.615803"
                                 z3="0.05011"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.365903"
                                 y3="2.782603"
                                 z3="-0.043766"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.327438"
                                 y3="2.791223"
                                 z3="0.396484"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.509322"
                                 y3="4.019684"
                                 z3="0.239572"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.533642"
                                 y3="3.936558"
                                 z3="-0.043063"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.602786"
                                 y3="0.022455"
                                 z3="2.416131"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.795683"
                                 y3="-0.047445"
                                 z3="2.376977"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.790014"
                                 y3="0.364564"
                                 z3="-2.32262"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.952576"
                                 y3="-0.965277"
                                 z3="1.010858"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.067821"
                                 y3="-1.056049"
                                 z3="-1.036294"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.990955"
                                 y3="0.935983"
                                 z3="-0.965055"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.963721"
                                 y3="0.994219"
                                 z3="0.962888"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.232061"
                                 y3="-1.164996"
                                 z3="1.077833"/>
                           <atom elementType="O"
                                 id="a18"
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                                 y3="-1.15804"
                                 z3="-1.18753"/>
                           <atom elementType="O"
                                 id="a19"
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                                 y3="0.258483"
                                 z3="3.504213"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.051247"
                                 y3="1.260614"
                                 z3="1.109112"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.260932"
                                 y3="3.52067"
                                 z3="4.035826"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.27434"
                                 y3="1.118504"
                                 z3="3.069033"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.159228"
                                 y3="1.021918"
                                 z3="-3.246238"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.130843"
                                 y3="-1.200023"
                                 z3="2.819047"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.210429"
                                 y3="2.761626"
                                 z3="-1.134392"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.212914"
                                 y3="3.613576"
                                 z3="-3.738743"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.111803"
                                 y3="3.058022"
                                 z3="1.268527"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.979835"
                                 y3="-3.258901"
                                 z3="-1.075812"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.396695"
                                 y3="-1.549617"
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                           <atom elementType="O"
                                 id="a30"
                                 x3="3.937871"
                                 y3="-0.08767"
                                 z3="-3.521368"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.592089"
                                 y3="1.701686"
                                 z3="-1.422937"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.361262"
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                                 z3="1.394942"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.738767"
                                 y3="-1.40322"
                                 z3="3.625916"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.554367"
                                 y3="1.352832"
                                 z3="-3.365293"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.528893"
                                 y3="1.441871"
                                 z3="3.415441"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.111945"
                                 y3="-0.123269"
                                 z3="-0.094448"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.729522"
                                 y3="-0.200985"
                                 z3="3.665997"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.416811"
                                 y3="3.59567"
                                 z3="1.726973"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.375087"
                                 y3="-3.364448"
                                 z3="1.612491"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.428678"
                                 y3="3.381262"
                                 z3="-1.541234"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.047976"
                                 y3="-3.512384"
                                 z3="4.032319"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.666414"
                                 y3="1.243722"
                                 z3="-4.059397"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.036533"
                                 y3="-1.683794"
                                 z3="1.304857"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.221736"
                                 y3="-3.99464"
                                 z3="-1.682115"/>
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                        <bondArray>
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                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3926,-2.3384,2.8701;3.6116,-3.7313,-.231;.0152,2.3674,-2.6092;-.0371,2.3758,2.8036;2.3615,-2.6158,.0501;2.3659,2.7826,-.0438;-2.3274,2.7912,.3965;3.5093,4.0197,.2396;-3.5336,3.9366,-.0431;-2.6028,.0225,2.4161;2.7957,-.0474,2.377;2.79,.3646,-2.3226;.9526,-.9653,1.0109;-1.0678,-1.056,-1.0363;.991,.936,-.9651;-.9637,.9942,.9629;-3.2321,-1.165,1.0778;2.7594,-1.158,-1.1875;4.0426,.2585,3.5042;3.0512,1.2606,1.1091;.2609,3.5207,4.0358;1.2743,1.1185,3.069;-1.1592,1.0219,-3.2462;-1.1308,-1.2,2.819;-1.2104,2.7616,-1.1344;-.2129,3.6136,-3.7387;1.1118,3.058,1.2685;.9798,-3.2589,-1.0758;3.3967,-1.5496,1.4568;3.9379,-.0877,-3.5214;3.5921,1.7017,-1.4229;-3.3613,1.5541,1.3949;1.7388,-1.4032,3.6259;1.5544,1.3528,-3.3653;-1.5289,1.4419,3.4154;-.1119,-.1233,-.0944;-3.7295,-.201,3.666;-1.4168,3.5957,1.727;1.3751,-3.3644,1.6125;1.4287,3.3813,-1.5412;-.048,-3.5124,4.0323;-1.6664,1.2437,-4.0594;-4.0365,-1.6838,1.3049;1.2217,-3.9946,-1.6821;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">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">-12.42101885</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00838679</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">0.00244867</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">0.00838679</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00244867</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01876922</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">0.00544516</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.3930"
                                 y3="-2.339338"
                                 z3="2.866978"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.607846"
                                 y3="-3.728234"
                                 z3="-0.227166"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.014463"
                                 y3="2.36595"
                                 z3="-2.60765"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.036716"
                                 y3="2.377335"
                                 z3="2.80588"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.358607"
                                 y3="-2.614584"
                                 z3="0.050809"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.36976"
                                 y3="2.786582"
                                 z3="-0.044551"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.328374"
                                 y3="2.787042"
                                 z3="0.395429"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.517148"
                                 y3="4.01654"
                                 z3="0.237993"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.538322"
                                 y3="3.929488"
                                 z3="-0.030947"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.600887"
                                 y3="0.020139"
                                 z3="2.412028"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.798149"
                                 y3="-0.045409"
                                 z3="2.377882"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.785158"
                                 y3="0.36342"
                                 z3="-2.322723"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.95504"
                                 y3="-0.965885"
                                 z3="1.005367"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.0703"
                                 y3="-1.053482"
                                 z3="-1.043072"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.987216"
                                 y3="0.940394"
                                 z3="-0.966056"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.964533"
                                 y3="0.990018"
                                 z3="0.96458"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.239896"
                                 y3="-1.156881"
                                 z3="1.069963"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.758176"
                                 y3="-1.163043"
                                 z3="-1.192529"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.036062"
                                 y3="0.258412"
                                 z3="3.511182"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.055612"
                                 y3="1.262711"
                                 z3="1.111241"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.260048"
                                 y3="3.525931"
                                 z3="4.0314"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.276327"
                                 y3="1.120878"
                                 z3="3.070958"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.152334"
                                 y3="1.0190"
                                 z3="-3.253587"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.135885"
                                 y3="-1.204612"
                                 z3="2.819375"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.215432"
                                 y3="2.763564"
                                 z3="-1.140719"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.214768"
                                 y3="3.611561"
                                 z3="-3.734565"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.115784"
                                 y3="3.060028"
                                 z3="1.270176"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.973743"
                                 y3="-3.265947"
                                 z3="-1.065791"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.404164"
                                 y3="-1.5460"
                                 z3="1.458941"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.929913"
                                 y3="-0.076039"
                                 z3="-3.526119"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.59237"
                                 y3="1.698023"
                                 z3="-1.42156"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.362103"
                                 y3="1.557812"
                                 z3="1.403212"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.733975"
                                 y3="-1.403213"
                                 z3="3.622845"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.557656"
                                 y3="1.361188"
                                 z3="-3.366551"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.523733"
                                 y3="1.44238"
                                 z3="3.423115"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.114692"
                                 y3="-0.125072"
                                 z3="-0.098399"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.726229"
                                 y3="-0.205925"
                                 z3="3.659901"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.415487"
                                 y3="3.594467"
                                 z3="1.723073"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.386655"
                                 y3="-3.366597"
                                 z3="1.618499"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.431456"
                                 y3="3.390991"
                                 z3="-1.536494"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.030971"
                                 y3="-3.519073"
                                 z3="4.025942"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.660237"
                                 y3="1.241413"
                                 z3="-4.06605"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.043666"
                                 y3="-1.67639"
                                 z3="1.296703"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.209737"
                                 y3="-4.010844"
                                 z3="-1.663345"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.393,-2.3393,2.867;3.6078,-3.7282,-.2272;.0145,2.366,-2.6077;-.0367,2.3773,2.8059;2.3586,-2.6146,.0508;2.3698,2.7866,-.0446;-2.3284,2.787,.3954;3.5171,4.0165,.238;-3.5383,3.9295,-.0309;-2.6009,.0201,2.412;2.7981,-.0454,2.3779;2.7852,.3634,-2.3227;.955,-.9659,1.0054;-1.0703,-1.0535,-1.0431;.9872,.9404,-.9661;-.9645,.99,.9646;-3.2399,-1.1569,1.07;2.7582,-1.163,-1.1925;4.0361,.2584,3.5112;3.0556,1.2627,1.1112;.26,3.5259,4.0314;1.2763,1.1209,3.071;-1.1523,1.019,-3.2536;-1.1359,-1.2046,2.8194;-1.2154,2.7636,-1.1407;-.2148,3.6116,-3.7346;1.1158,3.06,1.2702;.9737,-3.2659,-1.0658;3.4042,-1.546,1.4589;3.9299,-.076,-3.5261;3.5924,1.698,-1.4216;-3.3621,1.5578,1.4032;1.734,-1.4032,3.6228;1.5577,1.3612,-3.3666;-1.5237,1.4424,3.4231;-.1147,-.1251,-.0984;-3.7262,-.2059,3.6599;-1.4155,3.5945,1.7231;1.3867,-3.3666,1.6185;1.4315,3.391,-1.5365;-.031,-3.5191,4.0259;-1.6602,1.2414,-4.066;-4.0437,-1.6764,1.2967;1.2097,-4.0108,-1.6633;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">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">-12.42152897</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00812295</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">0.00244429</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">0.00812295</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00244429</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01980766</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">0.00620794</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.396634"
                                 y3="-2.337878"
                                 z3="2.86298"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.60071"
                                 y3="-3.732714"
                                 z3="-0.218738"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.011461"
                                 y3="2.362532"
                                 z3="-2.607526"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.032992"
                                 y3="2.376778"
                                 z3="2.810545"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.353458"
                                 y3="-2.614089"
                                 z3="0.049771"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.370791"
                                 y3="2.793283"
                                 z3="-0.042997"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.325476"
                                 y3="2.782008"
                                 z3="0.398398"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.522323"
                                 y3="4.020166"
                                 z3="0.240436"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.536178"
                                 y3="3.925002"
                                 z3="-0.023218"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.599561"
                                 y3="0.016256"
                                 z3="2.406713"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.802918"
                                 y3="-0.040087"
                                 z3="2.376552"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.77909"
                                 y3="0.366629"
                                 z3="-2.320113"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.958249"
                                 y3="-0.966196"
                                 z3="0.995235"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.073838"
                                 y3="-1.054691"
                                 z3="-1.053471"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.978364"
                                 y3="0.945417"
                                 z3="-0.966981"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.964466"
                                 y3="0.980791"
                                 z3="0.966878"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.246558"
                                 y3="-1.146327"
                                 z3="1.059311"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.755139"
                                 y3="-1.166867"
                                 z3="-1.20098"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.035058"
                                 y3="0.262448"
                                 z3="3.517536"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.060105"
                                 y3="1.266692"
                                 z3="1.111058"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.263661"
                                 y3="3.530063"
                                 z3="4.032553"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.281298"
                                 y3="1.120661"
                                 z3="3.072996"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.144405"
                                 y3="1.013928"
                                 z3="-3.262427"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.141121"
                                 y3="-1.211993"
                                 z3="2.820885"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.222679"
                                 y3="2.762718"
                                 z3="-1.146386"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.222086"
                                 y3="3.609329"
                                 z3="-3.732244"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.118356"
                                 y3="3.061057"
                                 z3="1.274052"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.967129"
                                 y3="-3.272014"
                                 z3="-1.057849"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.409678"
                                 y3="-1.540333"
                                 z3="1.460232"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.923277"
                                 y3="-0.067869"
                                 z3="-3.525256"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.59095"
                                 y3="1.698251"
                                 z3="-1.414684"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.36251"
                                 y3="1.562101"
                                 z3="1.409919"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.732568"
                                 y3="-1.398283"
                                 z3="3.620543"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.561012"
                                 y3="1.36959"
                                 z3="-3.36796"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.516758"
                                 y3="1.443361"
                                 z3="3.430188"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.119276"
                                 y3="-0.129416"
                                 z3="-0.105236"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.725499"
                                 y3="-0.215178"
                                 z3="3.653597"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.407337"
                                 y3="3.592845"
                                 z3="1.721932"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.397767"
                                 y3="-3.368539"
                                 z3="1.625668"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.432964"
                                 y3="3.399936"
                                 z3="-1.530174"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.016493"
                                 y3="-3.522236"
                                 z3="4.021552"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.654045"
                                 y3="1.234122"
                                 z3="-4.074425"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.053112"
                                 y3="-1.663749"
                                 z3="1.280273"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.194931"
                                 y3="-4.028805"
                                 z3="-1.643538"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3966,-2.3379,2.863;3.6007,-3.7327,-.2187;.0115,2.3625,-2.6075;-.033,2.3768,2.8105;2.3535,-2.6141,.0498;2.3708,2.7933,-.043;-2.3255,2.782,.3984;3.5223,4.0202,.2404;-3.5362,3.925,-.0232;-2.5996,.0163,2.4067;2.8029,-.0401,2.3766;2.7791,.3666,-2.3201;.9582,-.9662,.9952;-1.0738,-1.0547,-1.0535;.9784,.9454,-.967;-.9645,.9808,.9669;-3.2466,-1.1463,1.0593;2.7551,-1.1669,-1.201;4.0351,.2624,3.5175;3.0601,1.2667,1.1111;.2637,3.5301,4.0326;1.2813,1.1207,3.073;-1.1444,1.0139,-3.2624;-1.1411,-1.212,2.8209;-1.2227,2.7627,-1.1464;-.2221,3.6093,-3.7322;1.1184,3.0611,1.2741;.9671,-3.272,-1.0578;3.4097,-1.5403,1.4602;3.9233,-.0679,-3.5253;3.5909,1.6983,-1.4147;-3.3625,1.5621,1.4099;1.7326,-1.3983,3.6205;1.561,1.3696,-3.368;-1.5168,1.4434,3.4302;-.1193,-.1294,-.1052;-3.7255,-.2152,3.6536;-1.4073,3.5928,1.7219;1.3978,-3.3685,1.6257;1.433,3.3999,-1.5302;-.0165,-3.5222,4.0216;-1.654,1.2341,-4.0744;-4.0531,-1.6637,1.2803;1.1949,-4.0288,-1.6435;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">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">-12.42197394</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00680252</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">0.00209400</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">0.00680252</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00209400</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02430961</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">0.00625613</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.402986"
                                 y3="-2.335029"
                                 z3="2.860761"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.590339"
                                 y3="-3.738964"
                                 z3="-0.209862"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.006637"
                                 y3="2.356567"
                                 z3="-2.608022"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.027454"
                                 y3="2.376375"
                                 z3="2.816447"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.346202"
                                 y3="-2.612821"
                                 z3="0.047122"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.371204"
                                 y3="2.801084"
                                 z3="-0.040499"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.320421"
                                 y3="2.778398"
                                 z3="0.405814"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.522424"
                                 y3="4.029363"
                                 z3="0.245129"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.52846"
                                 y3="3.926288"
                                 z3="-0.021245"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.597998"
                                 y3="0.010654"
                                 z3="2.400617"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.808891"
                                 y3="-0.032875"
                                 z3="2.375947"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.775623"
                                 y3="0.374283"
                                 z3="-2.316157"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.960322"
                                 y3="-0.967948"
                                 z3="0.984949"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.076445"
                                 y3="-1.059923"
                                 z3="-1.060464"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.968177"
                                 y3="0.94813"
                                 z3="-0.969189"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.965222"
                                 y3="0.969471"
                                 z3="0.968319"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.246901"
                                 y3="-1.137577"
                                 z3="1.046655"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.751401"
                                 y3="-1.169524"
                                 z3="-1.211986"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.03958"
                                 y3="0.269185"
                                 z3="3.520484"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.064477"
                                 y3="1.271148"
                                 z3="1.109817"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.270503"
                                 y3="3.530451"
                                 z3="4.038752"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.28733"
                                 y3="1.119127"
                                 z3="3.075067"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.138697"
                                 y3="1.005936"
                                 z3="-3.267632"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.145572"
                                 y3="-1.221508"
                                 z3="2.820624"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.231716"
                                 y3="2.758224"
                                 z3="-1.150174"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.230209"
                                 y3="3.607938"
                                 z3="-3.729916"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.119779"
                                 y3="3.061324"
                                 z3="1.278683"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.960349"
                                 y3="-3.271486"
                                 z3="-1.055488"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.411069"
                                 y3="-1.534143"
                                 z3="1.460763"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.92375"
                                 y3="-0.065178"
                                 z3="-3.520094"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.589004"
                                 y3="1.702313"
                                 z3="-1.406182"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.362445"
                                 y3="1.565146"
                                 z3="1.414896"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.733957"
                                 y3="-1.391076"
                                 z3="3.621161"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.563403"
                                 y3="1.376516"
                                 z3="-3.368827"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.510999"
                                 y3="1.445264"
                                 z3="3.432414"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.123098"
                                 y3="-0.134025"
                                 z3="-0.111354"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.723927"
                                 y3="-0.224001"
                                 z3="3.648305"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.396134"
                                 y3="3.591692"
                                 z3="1.72363"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.403493"
                                 y3="-3.369722"
                                 z3="1.630349"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.433551"
                                 y3="3.404531"
                                 z3="-1.525122"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.010943"
                                 y3="-3.519779"
                                 z3="4.021167"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.65236"
                                 y3="1.219956"
                                 z3="-4.078789"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.05839"
                                 y3="-1.652691"
                                 z3="1.255964"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.176439"
                                 y3="-4.042394"
                                 z3="-1.627232"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.403,-2.335,2.8608;3.5903,-3.739,-.2099;.0066,2.3566,-2.608;-.0275,2.3764,2.8164;2.3462,-2.6128,.0471;2.3712,2.8011,-.0405;-2.3204,2.7784,.4058;3.5224,4.0294,.2451;-3.5285,3.9263,-.0212;-2.598,.0107,2.4006;2.8089,-.0329,2.3759;2.7756,.3743,-2.3162;.9603,-.9679,.9849;-1.0764,-1.0599,-1.0605;.9682,.9481,-.9692;-.9652,.9695,.9683;-3.2469,-1.1376,1.0467;2.7514,-1.1695,-1.212;4.0396,.2692,3.5205;3.0645,1.2711,1.1098;.2705,3.5305,4.0388;1.2873,1.1191,3.0751;-1.1387,1.0059,-3.2676;-1.1456,-1.2215,2.8206;-1.2317,2.7582,-1.1502;-.2302,3.6079,-3.7299;1.1198,3.0613,1.2787;.9603,-3.2715,-1.0555;3.4111,-1.5341,1.4608;3.9238,-.0652,-3.5201;3.589,1.7023,-1.4062;-3.3624,1.5651,1.4149;1.734,-1.3911,3.6212;1.5634,1.3765,-3.3688;-1.511,1.4453,3.4324;-.1231,-.134,-.1114;-3.7239,-.224,3.6483;-1.3961,3.5917,1.7236;1.4035,-3.3697,1.6303;1.4336,3.4045,-1.5251;-.0109,-3.5198,4.0212;-1.6524,1.22,-4.0788;-4.0584,-1.6527,1.256;1.1764,-4.0424,-1.6272;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">15</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">15</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-12.42230096</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00552977</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">0.00188657</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">0.00552977</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00188657</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01437085</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">0.00420116</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.407033"
                                 y3="-2.335299"
                                 z3="2.859516"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.585619"
                                 y3="-3.739591"
                                 z3="-0.204692"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.003829"
                                 y3="2.352113"
                                 z3="-2.607503"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.024204"
                                 y3="2.378986"
                                 z3="2.81853"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.341457"
                                 y3="-2.610163"
                                 z3="0.04515"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.37396"
                                 y3="2.805321"
                                 z3="-0.039013"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.319169"
                                 y3="2.77565"
                                 z3="0.410307"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.522554"
                                 y3="4.036576"
                                 z3="0.248914"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.522992"
                                 y3="3.927382"
                                 z3="-0.020671"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.595807"
                                 y3="0.006775"
                                 z3="2.397551"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.81189"
                                 y3="-0.027789"
                                 z3="2.377949"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.774861"
                                 y3="0.379782"
                                 z3="-2.314762"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.959886"
                                 y3="-0.972075"
                                 z3="0.978535"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.078681"
                                 y3="-1.065704"
                                 z3="-1.064441"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.961882"
                                 y3="0.94755"
                                 z3="-0.973143"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.968722"
                                 y3="0.961352"
                                 z3="0.967596"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.246812"
                                 y3="-1.132629"
                                 z3="1.039881"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.748751"
                                 y3="-1.172105"
                                 z3="-1.22138"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.044327"
                                 y3="0.274036"
                                 z3="3.522172"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.066855"
                                 y3="1.273434"
                                 z3="1.109877"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.275317"
                                 y3="3.532005"
                                 z3="4.04254"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.290261"
                                 y3="1.119143"
                                 z3="3.075224"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.134942"
                                 y3="1.000899"
                                 z3="-3.271599"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.149602"
                                 y3="-1.229825"
                                 z3="2.819892"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.239701"
                                 y3="2.753296"
                                 z3="-1.153633"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.232053"
                                 y3="3.60908"
                                 z3="-3.724134"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.121522"
                                 y3="3.060652"
                                 z3="1.280579"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.957217"
                                 y3="-3.268959"
                                 z3="-1.056513"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.41041"
                                 y3="-1.528897"
                                 z3="1.460728"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.926197"
                                 y3="-0.062382"
                                 z3="-3.51499"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.587983"
                                 y3="1.704463"
                                 z3="-1.401373"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.362164"
                                 y3="1.567139"
                                 z3="1.42094"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.733759"
                                 y3="-1.388024"
                                 z3="3.621998"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.565631"
                                 y3="1.383142"
                                 z3="-3.368868"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.507055"
                                 y3="1.447625"
                                 z3="3.431606"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.126222"
                                 y3="-0.138067"
                                 z3="-0.115604"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.719765"
                                 y3="-0.225985"
                                 z3="3.648823"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.390113"
                                 y3="3.590856"
                                 z3="1.722662"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.406683"
                                 y3="-3.370768"
                                 z3="1.631389"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.434395"
                                 y3="3.405611"
                                 z3="-1.521438"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.010373"
                                 y3="-3.518347"
                                 z3="4.021753"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.652854"
                                 y3="1.211134"
                                 z3="-4.081129"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.061024"
                                 y3="-1.646609"
                                 z3="1.241593"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.163476"
                                 y3="-4.052085"
                                 z3="-1.615219"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.407,-2.3353,2.8595;3.5856,-3.7396,-.2047;.0038,2.3521,-2.6075;-.0242,2.379,2.8185;2.3415,-2.6102,.0452;2.374,2.8053,-.039;-2.3192,2.7757,.4103;3.5226,4.0366,.2489;-3.523,3.9274,-.0207;-2.5958,.0068,2.3976;2.8119,-.0278,2.3779;2.7749,.3798,-2.3148;.9599,-.9721,.9785;-1.0787,-1.0657,-1.0644;.9619,.9476,-.9731;-.9687,.9614,.9676;-3.2468,-1.1326,1.0399;2.7488,-1.1721,-1.2214;4.0443,.274,3.5222;3.0669,1.2734,1.1099;.2753,3.532,4.0425;1.2903,1.1191,3.0752;-1.1349,1.0009,-3.2716;-1.1496,-1.2298,2.8199;-1.2397,2.7533,-1.1536;-.2321,3.6091,-3.7241;1.1215,3.0607,1.2806;.9572,-3.269,-1.0565;3.4104,-1.5289,1.4607;3.9262,-.0624,-3.515;3.588,1.7045,-1.4014;-3.3622,1.5671,1.4209;1.7338,-1.388,3.622;1.5656,1.3831,-3.3689;-1.5071,1.4476,3.4316;-.1262,-.1381,-.1156;-3.7198,-.226,3.6488;-1.3901,3.5909,1.7227;1.4067,-3.3708,1.6314;1.4344,3.4056,-1.5214;-.0104,-3.5183,4.0218;-1.6529,1.2111,-4.0811;-4.061,-1.6466,1.2416;1.1635,-4.0521,-1.6152;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">16</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">16</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-12.42251538</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00581686</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">0.00206701</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">0.00581686</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00206701</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01856008</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">0.00643686</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.412487"
                                 y3="-2.338687"
                                 z3="2.858588"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.585346"
                                 y3="-3.731349"
                                 z3="-0.197431"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.000269"
                                 y3="2.345679"
                                 z3="-2.60508"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.020184"
                                 y3="2.386158"
                                 z3="2.820017"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.336975"
                                 y3="-2.603982"
                                 z3="0.042951"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.381042"
                                 y3="2.810167"
                                 z3="-0.037322"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.319603"
                                 y3="2.772689"
                                 z3="0.416149"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.521368"
                                 y3="4.048037"
                                 z3="0.252708"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.514856"
                                 y3="3.931072"
                                 z3="-0.019567"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.591223"
                                 y3="0.001625"
                                 z3="2.394709"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.814773"
                                 y3="-0.020458"
                                 z3="2.384196"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.775638"
                                 y3="0.386655"
                                 z3="-2.314583"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.95508"
                                 y3="-0.982137"
                                 z3="0.970642"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.083759"
                                 y3="-1.074763"
                                 z3="-1.069711"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.954199"
                                 y3="0.941693"
                                 z3="-0.981711"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.977781"
                                 y3="0.95056"
                                 z3="0.962944"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.251222"
                                 y3="-1.126616"
                                 z3="1.034204"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.744027"
                                 y3="-1.177288"
                                 z3="-1.236244"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.053149"
                                 y3="0.279462"
                                 z3="3.521911"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.068979"
                                 y3="1.275977"
                                 z3="1.11083"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.280951"
                                 y3="3.533039"
                                 z3="4.048685"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.29193"
                                 y3="1.119465"
                                 z3="3.074312"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.130815"
                                 y3="0.995755"
                                 z3="-3.280144"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.155816"
                                 y3="-1.243205"
                                 z3="2.815714"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.252531"
                                 y3="2.742443"
                                 z3="-1.158653"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.229894"
                                 y3="3.614815"
                                 z3="-3.709185"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.124232"
                                 y3="3.058438"
                                 z3="1.281877"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.958671"
                                 y3="-3.268004"
                                 z3="-1.061014"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.406943"
                                 y3="-1.519263"
                                 z3="1.459355"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.932889"
                                 y3="-0.058045"
                                 z3="-3.507549"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.588045"
                                 y3="1.706841"
                                 z3="-1.395772"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.361724"
                                 y3="1.570568"
                                 z3="1.43245"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.732265"
                                 y3="-1.386383"
                                 z3="3.623707"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.568585"
                                 y3="1.393588"
                                 z3="-3.368267"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.500711"
                                 y3="1.450183"
                                 z3="3.426988"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.132103"
                                 y3="-0.14502"
                                 z3="-0.121893"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.708059"
                                 y3="-0.222055"
                                 z3="3.654136"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.382684"
                                 y3="3.590835"
                                 z3="1.720027"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.410088"
                                 y3="-3.372614"
                                 z3="1.630375"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.434641"
                                 y3="3.40334"
                                 z3="-1.515234"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.013679"
                                 y3="-3.515397"
                                 z3="4.023571"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.654676"
                                 y3="1.20209"
                                 z3="-4.086761"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.069764"
                                 y3="-1.636991"
                                 z3="1.227336"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.152012"
                                 y3="-4.070219"
                                 z3="-1.596659"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4125,-2.3387,2.8586;3.5853,-3.7313,-.1974;.0003,2.3457,-2.6051;-.0202,2.3862,2.82;2.337,-2.604,.043;2.381,2.8102,-.0373;-2.3196,2.7727,.4161;3.5214,4.048,.2527;-3.5149,3.9311,-.0196;-2.5912,.0016,2.3947;2.8148,-.0205,2.3842;2.7756,.3867,-2.3146;.9551,-.9821,.9706;-1.0838,-1.0748,-1.0697;.9542,.9417,-.9817;-.9778,.9506,.9629;-3.2512,-1.1266,1.0342;2.744,-1.1773,-1.2362;4.0531,.2795,3.5219;3.069,1.276,1.1108;.281,3.533,4.0487;1.2919,1.1195,3.0743;-1.1308,.9958,-3.2801;-1.1558,-1.2432,2.8157;-1.2525,2.7424,-1.1587;-.2299,3.6148,-3.7092;1.1242,3.0584,1.2819;.9587,-3.268,-1.061;3.4069,-1.5193,1.4594;3.9329,-.058,-3.5075;3.588,1.7068,-1.3958;-3.3617,1.5706,1.4325;1.7323,-1.3864,3.6237;1.5686,1.3936,-3.3683;-1.5007,1.4502,3.427;-.1321,-.145,-.1219;-3.7081,-.2221,3.6541;-1.3827,3.5908,1.72;1.4101,-3.3726,1.6304;1.4346,3.4033,-1.5152;-.0137,-3.5154,4.0236;-1.6547,1.2021,-4.0868;-4.0698,-1.637,1.2273;1.152,-4.0702,-1.5967;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">17</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">17</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-12.42291740</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00713585</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">0.00190749</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">0.00713585</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00190749</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02074093</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">0.00563479</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.414942"
                                 y3="-2.343557"
                                 z3="2.857091"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.592532"
                                 y3="-3.719954"
                                 z3="-0.191172"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="-0.000439"
                                 y3="2.343609"
                                 z3="-2.602027"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.018265"
                                 y3="2.394048"
                                 z3="2.818936"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.337958"
                                 y3="-2.598562"
                                 z3="0.04247"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.388669"
                                 y3="2.811843"
                                 z3="-0.03623"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.322185"
                                 y3="2.771083"
                                 z3="0.417881"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.520497"
                                 y3="4.056099"
                                 z3="0.253178"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.510155"
                                 y3="3.934916"
                                 z3="-0.018718"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.586834"
                                 y3="-0.0002"
                                 z3="2.395187"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.814704"
                                 y3="-0.015784"
                                 z3="2.390644"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.776814"
                                 y3="0.389222"
                                 z3="-2.316098"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.947412"
                                 y3="-0.991286"
                                 z3="0.965668"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.090042"
                                 y3="-1.080874"
                                 z3="-1.075216"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.950364"
                                 y3="0.93345"
                                 z3="-0.988955"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.986334"
                                 y3="0.944793"
                                 z3="0.955852"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.260973"
                                 y3="-1.123496"
                                 z3="1.036606"/>
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                                 id="a18"
                                 x3="2.73887"
                                 y3="-1.180115"
                                 z3="-1.245034"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.060485"
                                 y3="0.280607"
                                 z3="3.519381"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.068722"
                                 y3="1.277317"
                                 z3="1.111618"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.282312"
                                 y3="3.533163"
                                 z3="4.053496"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.29063"
                                 y3="1.119138"
                                 z3="3.072246"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.12854"
                                 y3="0.997548"
                                 z3="-3.290632"/>
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                                 id="a24"
                                 x3="-1.158584"
                                 y3="-1.251254"
                                 z3="2.809063"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.260165"
                                 y3="2.732303"
                                 z3="-1.161047"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.225322"
                                 y3="3.622673"
                                 z3="-3.694785"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.125784"
                                 y3="3.05632"
                                 z3="1.281663"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.966589"
                                 y3="-3.273851"
                                 z3="-1.065024"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.402239"
                                 y3="-1.511097"
                                 z3="1.455849"/>
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                                 id="a30"
                                 x3="3.939052"
                                 y3="-0.054177"
                                 z3="-3.502651"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.588606"
                                 y3="1.70751"
                                 z3="-1.393132"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.362317"
                                 y3="1.573916"
                                 z3="1.441026"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.73095"
                                 y3="-1.387805"
                                 z3="3.623166"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.57108"
                                 y3="1.400257"
                                 z3="-3.368125"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.495321"
                                 y3="1.449935"
                                 z3="3.421058"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.138231"
                                 y3="-0.151082"
                                 z3="-0.127444"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.696639"
                                 y3="-0.215805"
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                                 id="a38"
                                 x3="-1.379358"
                                 y3="3.591015"
                                 z3="1.71733"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.411538"
                                 y3="-3.375006"
                                 z3="1.628096"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.433376"
                                 y3="3.399109"
                                 z3="-1.509668"/>
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                                 id="a41"
                                 x3="-0.017989"
                                 y3="-3.51332"
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                                 id="a42"
                                 x3="-1.656041"
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                                 z3="-4.094011"/>
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                                 id="a43"
                                 x3="-4.081778"
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                           <atom elementType="H"
                                 id="a44"
                                 x3="1.154886"
                                 y3="-4.09096"
                                 z3="-1.579032"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4149,-2.3436,2.8571;3.5925,-3.72,-.1912;-.0004,2.3436,-2.602;-.0183,2.394,2.8189;2.338,-2.5986,.0425;2.3887,2.8118,-.0362;-2.3222,2.7711,.4179;3.5205,4.0561,.2532;-3.5102,3.9349,-.0187;-2.5868,-.0002,2.3952;2.8147,-.0158,2.3906;2.7768,.3892,-2.3161;.9474,-.9913,.9657;-1.09,-1.0809,-1.0752;.9504,.9335,-.989;-.9863,.9448,.9559;-3.261,-1.1235,1.0366;2.7389,-1.1801,-1.245;4.0605,.2806,3.5194;3.0687,1.2773,1.1116;.2823,3.5332,4.0535;1.2906,1.1191,3.0722;-1.1285,.9975,-3.2906;-1.1586,-1.2513,2.8091;-1.2602,2.7323,-1.161;-.2253,3.6227,-3.6948;1.1258,3.0563,1.2817;.9666,-3.2739,-1.065;3.4022,-1.5111,1.4558;3.9391,-.0542,-3.5027;3.5886,1.7075,-1.3931;-3.3623,1.5739,1.441;1.7309,-1.3878,3.6232;1.5711,1.4003,-3.3681;-1.4953,1.4499,3.4211;-.1382,-.1511,-.1274;-3.6966,-.2158,3.6614;-1.3794,3.591,1.7173;1.4115,-3.375,1.6281;1.4334,3.3991,-1.5097;-.018,-3.5133,4.0252;-1.656,1.2068,-4.094;-4.0818,-1.6298,1.2305;1.1549,-4.091,-1.579;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">18</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">18</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-12.42328132</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00644860</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">0.00150292</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">0.00644860</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00150292</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02903079</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">0.00784419</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.415332"
                                 y3="-2.348742"
                                 z3="2.853784"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.607308"
                                 y3="-3.707788"
                                 z3="-0.18101"/>
                           <atom elementType="Mo"
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                                 x3="0.000577"
                                 y3="2.345746"
                                 z3="-2.599256"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.016254"
                                 y3="2.400799"
                                 z3="2.817361"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.343487"
                                 y3="-2.5950"
                                 z3="0.04329"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.394978"
                                 y3="2.813048"
                                 z3="-0.034191"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.325565"
                                 y3="2.76896"
                                 z3="0.416606"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.520219"
                                 y3="4.062883"
                                 z3="0.252596"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.509399"
                                 y3="3.936526"
                                 z3="-0.017063"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.582553"
                                 y3="0.00012"
                                 z3="2.398925"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.813813"
                                 y3="-0.011615"
                                 z3="2.395098"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.776401"
                                 y3="0.388754"
                                 z3="-2.317801"/>
                           <atom elementType="O"
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                                 y3="-1.000136"
                                 z3="0.959147"/>
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                                 z3="-1.085244"/>
                           <atom elementType="O"
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                                 x3="0.946349"
                                 y3="0.923508"
                                 z3="-0.995777"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.994768"
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                                 z3="0.946125"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.280121"
                                 y3="-1.121099"
                                 z3="1.047952"/>
                           <atom elementType="O"
                                 id="a18"
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                                 y3="-1.183514"
                                 z3="-1.251257"/>
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                                 y3="0.280184"
                                 z3="3.516308"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.06677"
                                 y3="1.278991"
                                 z3="1.112209"/>
                           <atom elementType="O"
                                 id="a21"
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                                 y3="3.532514"
                                 z3="4.058463"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.288734"
                                 y3="1.117772"
                                 z3="3.069279"/>
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                                 id="a23"
                                 x3="-1.126731"
                                 y3="1.007971"
                                 z3="-3.308593"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.16074"
                                 y3="-1.25674"
                                 z3="2.801571"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.266383"
                                 y3="2.724571"
                                 z3="-1.164747"/>
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                                 id="a26"
                                 x3="-0.218101"
                                 y3="3.634665"
                                 z3="-3.680767"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.126818"
                                 y3="3.054593"
                                 z3="1.281673"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.981484"
                                 y3="-3.291527"
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                           <atom elementType="O"
                                 id="a29"
                                 x3="3.397002"
                                 y3="-1.503341"
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                                 id="a30"
                                 x3="3.942175"
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                                 z3="-3.500658"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.587615"
                                 y3="1.706359"
                                 z3="-1.390258"/>
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                                 id="a32"
                                 x3="-3.363023"
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                                 z3="1.447939"/>
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                                 id="a33"
                                 x3="1.729458"
                                 y3="-1.38908"
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                           <atom elementType="O"
                                 id="a34"
                                 x3="1.574176"
                                 y3="1.405043"
                                 z3="-3.367962"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.488081"
                                 y3="1.44779"
                                 z3="3.415532"/>
                           <atom elementType="As"
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                                 x3="-0.146941"
                                 y3="-0.158904"
                                 z3="-0.135529"/>
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                                 id="a37"
                                 x3="-3.684932"
                                 y3="-0.207394"
                                 z3="3.673124"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.376863"
                                 y3="3.589503"
                                 z3="1.714233"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.413794"
                                 y3="-3.377797"
                                 z3="1.62713"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.431178"
                                 y3="3.394933"
                                 z3="-1.502612"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.020415"
                                 y3="-3.513459"
                                 z3="4.025267"/>
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                                 id="a42"
                                 x3="-1.653189"
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                                 z3="-4.110181"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.104008"
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                           <atom elementType="H"
                                 id="a44"
                                 x3="1.174221"
                                 y3="-4.11999"
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                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4153,-2.3487,2.8538;3.6073,-3.7078,-.181;.0006,2.3457,-2.5993;-.0163,2.4008,2.8174;2.3435,-2.595,.0433;2.395,2.813,-.0342;-2.3256,2.769,.4166;3.5202,4.0629,.2526;-3.5094,3.9365,-.0171;-2.5826,.0001,2.3989;2.8138,-.0116,2.3951;2.7764,.3888,-2.3178;.9369,-1.0001,.9591;-1.0996,-1.0867,-1.0852;.9463,.9235,-.9958;-.9948,.94,.9461;-3.2801,-1.1211,1.048;2.7338,-1.1835,-1.2513;4.0664,.2802,3.5163;3.0668,1.279,1.1122;.2822,3.5325,4.0585;1.2887,1.1178,3.0693;-1.1267,1.008,-3.3086;-1.1607,-1.2567,2.8016;-1.2664,2.7246,-1.1647;-.2181,3.6347,-3.6808;1.1268,3.0546,1.2817;.9815,-3.2915,-1.0665;3.397,-1.5033,1.4515;3.9422,-.0495,-3.5007;3.5876,1.7064,-1.3903;-3.363,1.5779,1.4479;1.7295,-1.3891,3.6193;1.5742,1.405,-3.368;-1.4881,1.4478,3.4155;-.1469,-.1589,-.1355;-3.6849,-.2074,3.6731;-1.3769,3.5895,1.7142;1.4138,-3.3778,1.6271;1.4312,3.3949,-1.5026;-.0204,-3.5135,4.0253;-1.6532,1.2264,-4.1102;-4.104,-1.6186,1.2506;1.1742,-4.12,-1.56;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">19</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">19</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-12.42365988</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00527125</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">0.00130821</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">0.00527125</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00130821</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02957840</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">0.00824567</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.416328"
                                 y3="-2.351573"
                                 z3="2.849438"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.619827"
                                 y3="-3.702146"
                                 z3="-0.169489"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.001497"
                                 y3="2.350827"
                                 z3="-2.597814"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.013027"
                                 y3="2.405265"
                                 z3="2.818131"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.350236"
                                 y3="-2.59413"
                                 z3="0.044405"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.399393"
                                 y3="2.81622"
                                 z3="-0.031116"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.326641"
                                 y3="2.765008"
                                 z3="0.415426"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.521869"
                                 y3="4.069021"
                                 z3="0.252701"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.510611"
                                 y3="3.935122"
                                 z3="-0.013739"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.579177"
                                 y3="0.000442"
                                 z3="2.403369"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.814508"
                                 y3="-0.007095"
                                 z3="2.3979"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.772786"
                                 y3="0.388352"
                                 z3="-2.318783"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.926469"
                                 y3="-1.006757"
                                 z3="0.950295"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.109141"
                                 y3="-1.093272"
                                 z3="-1.097165"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.939809"
                                 y3="0.915101"
                                 z3="-1.001031"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.000577"
                                 y3="0.933525"
                                 z3="0.936515"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.300671"
                                 y3="-1.116213"
                                 z3="1.058907"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.727832"
                                 y3="-1.187717"
                                 z3="-1.257296"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.069558"
                                 y3="0.280837"
                                 z3="3.516805"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.066418"
                                 y3="1.282533"
                                 z3="1.112997"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.282778"
                                 y3="3.532521"
                                 z3="4.063307"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.289191"
                                 y3="1.115987"
                                 z3="3.068654"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.122359"
                                 y3="1.021198"
                                 z3="-3.330282"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.16317"
                                 y3="-1.261517"
                                 z3="2.794672"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.271406"
                                 y3="2.717044"
                                 z3="-1.169066"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.214401"
                                 y3="3.647176"
                                 z3="-3.671812"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.128165"
                                 y3="3.054903"
                                 z3="1.284149"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.993602"
                                 y3="-3.312922"
                                 z3="-1.061407"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.392853"
                                 y3="-1.497766"
                                 z3="1.448257"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.941244"
                                 y3="-0.043658"
                                 z3="-3.503117"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.583361"
                                 y3="1.705482"
                                 z3="-1.386993"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.364487"
                                 y3="1.58139"
                                 z3="1.450683"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.729632"
                                 y3="-1.388005"
                                 z3="3.613106"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.577138"
                                 y3="1.408384"
                                 z3="-3.369857"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.480906"
                                 y3="1.444928"
                                 z3="3.413173"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.156073"
                                 y3="-0.167688"
                                 z3="-0.14498"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.676704"
                                 y3="-0.20378"
                                 z3="3.682208"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.373525"
                                 y3="3.584402"
                                 z3="1.712657"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.41765"
                                 y3="-3.381346"
                                 z3="1.630168"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.428416"
                                 y3="3.39413"
                                 z3="-1.495189"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.015599"
                                 y3="-3.514475"
                                 z3="4.024242"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.643933"
                                 y3="1.251091"
                                 z3="-4.131648"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.128466"
                                 y3="-1.602559"
                                 z3="1.271983"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.193816"
                                 y3="-4.149569"
                                 z3="-1.537764"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4163,-2.3516,2.8494;3.6198,-3.7021,-.1695;.0015,2.3508,-2.5978;-.013,2.4053,2.8181;2.3502,-2.5941,.0444;2.3994,2.8162,-.0311;-2.3266,2.765,.4154;3.5219,4.069,.2527;-3.5106,3.9351,-.0137;-2.5792,.0004,2.4034;2.8145,-.0071,2.3979;2.7728,.3884,-2.3188;.9265,-1.0068,.9503;-1.1091,-1.0933,-1.0972;.9398,.9151,-1.001;-1.0006,.9335,.9365;-3.3007,-1.1162,1.0589;2.7278,-1.1877,-1.2573;4.0696,.2808,3.5168;3.0664,1.2825,1.113;.2828,3.5325,4.0633;1.2892,1.116,3.0687;-1.1224,1.0212,-3.3303;-1.1632,-1.2615,2.7947;-1.2714,2.717,-1.1691;-.2144,3.6472,-3.6718;1.1282,3.0549,1.2841;.9936,-3.3129,-1.0614;3.3929,-1.4978,1.4483;3.9412,-.0437,-3.5031;3.5834,1.7055,-1.387;-3.3645,1.5814,1.4507;1.7296,-1.388,3.6131;1.5771,1.4084,-3.3699;-1.4809,1.4449,3.4132;-.1561,-.1677,-.145;-3.6767,-.2038,3.6822;-1.3735,3.5844,1.7127;1.4177,-3.3813,1.6302;1.4284,3.3941,-1.4952;-.0156,-3.5145,4.0242;-1.6439,1.2511,-4.1316;-4.1285,-1.6026,1.272;1.1938,-4.1496,-1.5378;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">20</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">20</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-12.42401485</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00366444</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">0.00104188</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">0.00366444</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00104188</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01976843</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">0.00639189</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.418725"
                                 y3="-2.351848"
                                 z3="2.846498"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.627536"
                                 y3="-3.703106"
                                 z3="-0.164447"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.001193"
                                 y3="2.356394"
                                 z3="-2.597974"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.00969"
                                 y3="2.406855"
                                 z3="2.820847"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.35638"
                                 y3="-2.595119"
                                 z3="0.044866"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.401117"
                                 y3="2.81977"
                                 z3="-0.027769"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.326319"
                                 y3="2.760752"
                                 z3="0.415504"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.525143"
                                 y3="4.071793"
                                 z3="0.25498"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.513632"
                                 y3="3.930613"
                                 z3="-0.009395"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.577402"
                                 y3="-0.000604"
                                 z3="2.407115"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.817054"
                                 y3="-0.003266"
                                 z3="2.399622"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.767612"
                                 y3="0.388143"
                                 z3="-2.319373"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.919352"
                                 y3="-1.011371"
                                 z3="0.942676"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.116654"
                                 y3="-1.100197"
                                 z3="-1.106588"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.932629"
                                 y3="0.90957"
                                 z3="-1.005243"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.004171"
                                 y3="0.926848"
                                 z3="0.929382"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.313333"
                                 y3="-1.110453"
                                 z3="1.063531"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.723184"
                                 y3="-1.193176"
                                 z3="-1.263143"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.069896"
                                 y3="0.284432"
                                 z3="3.521537"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.068129"
                                 y3="1.286351"
                                 z3="1.11537"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.285564"
                                 y3="3.534093"
                                 z3="4.066541"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.292008"
                                 y3="1.116147"
                                 z3="3.070097"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.117612"
                                 y3="1.031359"
                                 z3="-3.347688"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.16584"
                                 y3="-1.265569"
                                 z3="2.789772"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.276373"
                                 y3="2.712555"
                                 z3="-1.174623"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.212508"
                                 y3="3.656937"
                                 z3="-3.668479"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.13062"
                                 y3="3.056876"
                                 z3="1.288391"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.997904"
                                 y3="-3.32769"
                                 z3="-1.051208"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.391313"
                                 y3="-1.495611"
                                 z3="1.448165"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.935282"
                                 y3="-0.038578"
                                 z3="-3.50744"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.576836"
                                 y3="1.704093"
                                 z3="-1.384467"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.365396"
                                 y3="1.582575"
                                 z3="1.450564"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.73096"
                                 y3="-1.384201"
                                 z3="3.60804"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.578669"
                                 y3="1.410574"
                                 z3="-3.371369"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.476735"
                                 y3="1.443193"
                                 z3="3.413486"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.163191"
                                 y3="-0.175504"
                                 z3="-0.15292"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.673677"
                                 y3="-0.204655"
                                 z3="3.688286"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.370488"
                                 y3="3.577943"
                                 z3="1.71257"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.423116"
                                 y3="-3.383473"
                                 z3="1.63568"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.426946"
                                 y3="3.395236"
                                 z3="-1.490158"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.005704"
                                 y3="-3.516569"
                                 z3="4.023564"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.631718"
                                 y3="1.269709"
                                 z3="-4.151417"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.146561"
                                 y3="-1.585166"
                                 z3="1.281216"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.203336"
                                 y3="-4.167954"
                                 z3="-1.518998"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4187,-2.3518,2.8465;3.6275,-3.7031,-.1644;.0012,2.3564,-2.598;-.0097,2.4069,2.8208;2.3564,-2.5951,.0449;2.4011,2.8198,-.0278;-2.3263,2.7608,.4155;3.5251,4.0718,.255;-3.5136,3.9306,-.0094;-2.5774,-.0006,2.4071;2.8171,-.0033,2.3996;2.7676,.3881,-2.3194;.9194,-1.0114,.9427;-1.1167,-1.1002,-1.1066;.9326,.9096,-1.0052;-1.0042,.9268,.9294;-3.3133,-1.1105,1.0635;2.7232,-1.1932,-1.2631;4.0699,.2844,3.5215;3.0681,1.2864,1.1154;.2856,3.5341,4.0665;1.292,1.1161,3.0701;-1.1176,1.0314,-3.3477;-1.1658,-1.2656,2.7898;-1.2764,2.7126,-1.1746;-.2125,3.6569,-3.6685;1.1306,3.0569,1.2884;.9979,-3.3277,-1.0512;3.3913,-1.4956,1.4482;3.9353,-.0386,-3.5074;3.5768,1.7041,-1.3845;-3.3654,1.5826,1.4506;1.731,-1.3842,3.608;1.5787,1.4106,-3.3714;-1.4767,1.4432,3.4135;-.1632,-.1755,-.1529;-3.6737,-.2047,3.6883;-1.3705,3.5779,1.7126;1.4231,-3.3835,1.6357;1.4269,3.3952,-1.4902;-.0057,-3.5166,4.0236;-1.6317,1.2697,-4.1514;-4.1466,-1.5852,1.2812;1.2033,-4.168,-1.519;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">21</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">21</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-12.42424299</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00320392</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">0.00095590</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">0.00320392</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00095590</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01032222</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">0.00287597</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.420581"
                                 y3="-2.35139"
                                 z3="2.845544"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.629352"
                                 y3="-3.705537"
                                 z3="-0.168616"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="0.000041"
                                 y3="2.359644"
                                 z3="-2.598221"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.008269"
                                 y3="2.407504"
                                 z3="2.823337"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.360163"
                                 y3="-2.595771"
                                 z3="0.043931"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.401798"
                                 y3="2.822221"
                                 z3="-0.02578"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.325892"
                                 y3="2.758595"
                                 z3="0.416532"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.527545"
                                 y3="4.072666"
                                 z3="0.256846"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.515653"
                                 y3="3.926749"
                                 z3="-0.007535"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.576962"
                                 y3="-0.001931"
                                 z3="2.409761"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.819343"
                                 y3="-0.002097"
                                 z3="2.401274"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.764916"
                                 y3="0.38878"
                                 z3="-2.319282"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.915932"
                                 y3="-1.013889"
                                 z3="0.939864"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.119133"
                                 y3="-1.103809"
                                 z3="-1.110595"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.929319"
                                 y3="0.906753"
                                 z3="-1.00763"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.006088"
                                 y3="0.923626"
                                 z3="0.925779"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.315398"
                                 y3="-1.107402"
                                 z3="1.063404"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.719066"
                                 y3="-1.195106"
                                 z3="-1.264727"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.069696"
                                 y3="0.286955"
                                 z3="3.525566"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.070513"
                                 y3="1.288723"
                                 z3="1.118033"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.287647"
                                 y3="3.535719"
                                 z3="4.06789"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.294454"
                                 y3="1.117935"
                                 z3="3.072042"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.114461"
                                 y3="1.033232"
                                 z3="-3.353241"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.167078"
                                 y3="-1.267352"
                                 z3="2.786932"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.278365"
                                 y3="2.708946"
                                 z3="-1.176753"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.213143"
                                 y3="3.660326"
                                 z3="-3.669039"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.133008"
                                 y3="3.059345"
                                 z3="1.291676"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.995539"
                                 y3="-3.33099"
                                 z3="-1.042841"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.390836"
                                 y3="-1.496574"
                                 z3="1.448764"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.930964"
                                 y3="-0.037305"
                                 z3="-3.509966"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.573445"
                                 y3="1.703451"
                                 z3="-1.382849"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.365559"
                                 y3="1.581839"
                                 z3="1.449401"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.732154"
                                 y3="-1.380998"
                                 z3="3.606233"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.57842"
                                 y3="1.410874"
                                 z3="-3.371986"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.476903"
                                 y3="1.442892"
                                 z3="3.414209"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.165881"
                                 y3="-0.179169"
                                 z3="-0.156304"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.673932"
                                 y3="-0.206403"
                                 z3="3.690612"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.368975"
                                 y3="3.574703"
                                 z3="1.713293"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.426262"
                                 y3="-3.383706"
                                 z3="1.638653"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.426501"
                                 y3="3.395736"
                                 z3="-1.489358"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.000007"
                                 y3="-3.517559"
                                 z3="4.022864"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.622633"
                                 y3="1.273187"
                                 z3="-4.16027"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.152901"
                                 y3="-1.574844"
                                 z3="1.280466"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.203225"
                                 y3="-4.169873"
                                 z3="-1.512311"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4206,-2.3514,2.8455;3.6294,-3.7055,-.1686;0,2.3596,-2.5982;-.0083,2.4075,2.8233;2.3602,-2.5958,.0439;2.4018,2.8222,-.0258;-2.3259,2.7586,.4165;3.5275,4.0727,.2568;-3.5157,3.9267,-.0075;-2.577,-.0019,2.4098;2.8193,-.0021,2.4013;2.7649,.3888,-2.3193;.9159,-1.0139,.9399;-1.1191,-1.1038,-1.1106;.9293,.9068,-1.0076;-1.0061,.9236,.9258;-3.3154,-1.1074,1.0634;2.7191,-1.1951,-1.2647;4.0697,.287,3.5256;3.0705,1.2887,1.118;.2876,3.5357,4.0679;1.2945,1.1179,3.072;-1.1145,1.0332,-3.3532;-1.1671,-1.2674,2.7869;-1.2784,2.7089,-1.1768;-.2131,3.6603,-3.669;1.133,3.0593,1.2917;.9955,-3.331,-1.0428;3.3908,-1.4966,1.4488;3.931,-.0373,-3.51;3.5734,1.7035,-1.3828;-3.3656,1.5818,1.4494;1.7322,-1.381,3.6062;1.5784,1.4109,-3.372;-1.4769,1.4429,3.4142;-.1659,-.1792,-.1563;-3.6739,-.2064,3.6906;-1.369,3.5747,1.7133;1.4263,-3.3837,1.6387;1.4265,3.3957,-1.4894;0,-3.5176,4.0229;-1.6226,1.2732,-4.1603;-4.1529,-1.5748,1.2805;1.2032,-4.1699,-1.5123;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">22</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">22</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-12.42435152</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00250826</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">0.00086106</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">0.00250826</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00086106</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01162469</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">0.00331757</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.422813"
                                 y3="-2.351889"
                                 z3="2.844923"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.630473"
                                 y3="-3.706965"
                                 z3="-0.17837"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="-0.001712"
                                 y3="2.3631"
                                 z3="-2.597721"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.007359"
                                 y3="2.408806"
                                 z3="2.824516"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.364207"
                                 y3="-2.595249"
                                 z3="0.041687"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.403332"
                                 y3="2.823227"
                                 z3="-0.023461"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.327287"
                                 y3="2.756006"
                                 z3="0.418182"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.530092"
                                 y3="4.072001"
                                 z3="0.260312"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.518322"
                                 y3="3.922532"
                                 z3="-0.00629"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.576517"
                                 y3="-0.004257"
                                 z3="2.413598"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.820726"
                                 y3="-0.001093"
                                 z3="2.403953"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.763013"
                                 y3="0.390284"
                                 z3="-2.320188"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.912484"
                                 y3="-1.018521"
                                 z3="0.937722"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.121759"
                                 y3="-1.108396"
                                 z3="-1.115032"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.926139"
                                 y3="0.903165"
                                 z3="-1.012055"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.010427"
                                 y3="0.919511"
                                 z3="0.922104"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.314005"
                                 y3="-1.104712"
                                 z3="1.062346"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.716215"
                                 y3="-1.198038"
                                 z3="-1.268099"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.069235"
                                 y3="0.290435"
                                 z3="3.529046"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.073221"
                                 y3="1.29052"
                                 z3="1.122277"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.290568"
                                 y3="3.538008"
                                 z3="4.067132"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.296868"
                                 y3="1.12228"
                                 z3="3.072942"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.110246"
                                 y3="1.032164"
                                 z3="-3.355184"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.169807"
                                 y3="-1.271275"
                                 z3="2.786149"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.282466"
                                 y3="2.705751"
                                 z3="-1.179528"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.213208"
                                 y3="3.66381"
                                 z3="-3.66887"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.137028"
                                 y3="3.061297"
                                 z3="1.294944"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.989955"
                                 y3="-3.329698"
                                 z3="-1.033133"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.390024"
                                 y3="-1.497102"
                                 z3="1.449281"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.92783"
                                 y3="-0.036472"
                                 z3="-3.511998"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.571245"
                                 y3="1.702164"
                                 z3="-1.380144"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.364797"
                                 y3="1.580855"
                                 z3="1.452115"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.7320"
                                 y3="-1.376413"
                                 z3="3.605122"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.578662"
                                 y3="1.414824"
                                 z3="-3.370973"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.477821"
                                 y3="1.443709"
                                 z3="3.413992"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.169079"
                                 y3="-0.183708"
                                 z3="-0.160162"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.674073"
                                 y3="-0.207372"
                                 z3="3.693934"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.367146"
                                 y3="3.572242"
                                 z3="1.712685"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.431937"
                                 y3="-3.382079"
                                 z3="1.641528"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.427253"
                                 y3="3.394927"
                                 z3="-1.488458"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.004914"
                                 y3="-3.518417"
                                 z3="4.022451"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.611009"
                                 y3="1.270202"
                                 z3="-4.16738"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.156827"
                                 y3="-1.564509"
                                 z3="1.27552"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.197132"
                                 y3="-4.166955"
                                 z3="-1.505815"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4228,-2.3519,2.8449;3.6305,-3.707,-.1784;-.0017,2.3631,-2.5977;-.0074,2.4088,2.8245;2.3642,-2.5952,.0417;2.4033,2.8232,-.0235;-2.3273,2.756,.4182;3.5301,4.072,.2603;-3.5183,3.9225,-.0063;-2.5765,-.0043,2.4136;2.8207,-.0011,2.404;2.763,.3903,-2.3202;.9125,-1.0185,.9377;-1.1218,-1.1084,-1.115;.9261,.9032,-1.0121;-1.0104,.9195,.9221;-3.314,-1.1047,1.0623;2.7162,-1.198,-1.2681;4.0692,.2904,3.529;3.0732,1.2905,1.1223;.2906,3.538,4.0671;1.2969,1.1223,3.0729;-1.1102,1.0322,-3.3552;-1.1698,-1.2713,2.7861;-1.2825,2.7058,-1.1795;-.2132,3.6638,-3.6689;1.137,3.0613,1.2949;.99,-3.3297,-1.0331;3.39,-1.4971,1.4493;3.9278,-.0365,-3.512;3.5712,1.7022,-1.3801;-3.3648,1.5809,1.4521;1.732,-1.3764,3.6051;1.5787,1.4148,-3.371;-1.4778,1.4437,3.414;-.1691,-.1837,-.1602;-3.6741,-.2074,3.6939;-1.3671,3.5722,1.7127;1.4319,-3.3821,1.6415;1.4273,3.3949,-1.4885;.0049,-3.5184,4.0225;-1.611,1.2702,-4.1674;-4.1568,-1.5645,1.2755;1.1971,-4.167,-1.5058;/R:/0/N:36,13,14,15,16;1,5,10,3,11,4,6,41,28,2,17,37,23,26,19,21,8,30,9,39,24,33,29,35,40,22,20,27,18,32,34,25,38,31,12,7/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;8.1,10.1,12.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">23</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">23</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-12.42443692</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00197088</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">0.00061409</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">0.00197088</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00061409</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01183245</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">0.00309652</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.424905"
                                 y3="-2.352518"
                                 z3="2.844262"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.629582"
                                 y3="-3.707524"
                                 z3="-0.189756"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="-0.003331"
                                 y3="2.365341"
                                 z3="-2.596156"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.007436"
                                 y3="2.410443"
                                 z3="2.824518"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.36685"
                                 y3="-2.593533"
                                 z3="0.0392"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.405538"
                                 y3="2.823044"
                                 z3="-0.02226"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.328998"
                                 y3="2.754368"
                                 z3="0.420222"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.531595"
                                 y3="4.072044"
                                 z3="0.260969"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.518972"
                                 y3="3.920832"
                                 z3="-0.005293"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.575717"
                                 y3="-0.006455"
                                 z3="2.416266"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.820928"
                                 y3="-0.001033"
                                 z3="2.406654"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.762213"
                                 y3="0.392391"
                                 z3="-2.321277"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.909509"
                                 y3="-1.022003"
                                 z3="0.936885"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.123701"
                                 y3="-1.110138"
                                 z3="-1.118208"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.924416"
                                 y3="0.899971"
                                 z3="-1.015544"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.014239"
                                 y3="0.916803"
                                 z3="0.9194"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.31152"
                                 y3="-1.102099"
                                 z3="1.059766"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.713853"
                                 y3="-1.198513"
                                 z3="-1.270512"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.07054"
                                 y3="0.290405"
                                 z3="3.529865"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.075428"
                                 y3="1.291535"
                                 z3="1.125158"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.290744"
                                 y3="3.539209"
                                 z3="4.067068"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.298452"
                                 y3="1.125987"
                                 z3="3.073144"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.105141"
                                 y3="1.028016"
                                 z3="-3.353335"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.170585"
                                 y3="-1.27424"
                                 z3="2.784715"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.285395"
                                 y3="2.702546"
                                 z3="-1.179578"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.216463"
                                 y3="3.66396"
                                 z3="-3.669062"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.140069"
                                 y3="3.063017"
                                 z3="1.297071"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.982978"
                                 y3="-3.326732"
                                 z3="-1.024616"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.389169"
                                 y3="-1.496686"
                                 z3="1.447584"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.926773"
                                 y3="-0.03562"
                                 z3="-3.511475"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.571348"
                                 y3="1.701516"
                                 z3="-1.377594"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.364612"
                                 y3="1.581226"
                                 z3="1.45711"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.731445"
                                 y3="-1.372136"
                                 z3="3.60471"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.580097"
                                 y3="1.420483"
                                 z3="-3.369899"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.478153"
                                 y3="1.443008"
                                 z3="3.412967"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.171289"
                                 y3="-0.186288"
                                 z3="-0.162509"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.675473"
                                 y3="-0.210768"
                                 z3="3.694557"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.365246"
                                 y3="3.571787"
                                 z3="1.712055"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.438004"
                                 y3="-3.38051"
                                 z3="1.644251"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.42716"
                                 y3="3.393559"
                                 z3="-1.48752"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.007433"
                                 y3="-3.517748"
                                 z3="4.022878"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.599176"
                                 y3="1.261943"
                                 z3="-4.17087"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.158343"
                                 y3="-1.55655"
                                 z3="1.26858"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.188261"
                                 y3="-4.163642"
                                 z3="-1.49879"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3/rAsO4.H3Mo7O27W2/c2-1(3,4)5;8-1-20-2(9,10)23-5(15,22-1)26-6(16)24-3(11,12,21-1)30-36(19,33-6)32-4(13,14)25-7(17,27-5,28-6)34-35(18,29-2)31-4/h;9,11,13H">
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                        </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">-12.42447099</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00194920</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">0.00057950</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">0.00194920</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00057950</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01142888</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">0.00267244</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.426857"
                                 y3="-2.352598"
                                 z3="2.844055"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.627904"
                                 y3="-3.707081"
                                 z3="-0.198103"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="-0.004907"
                                 y3="2.365888"
                                 z3="-2.594762"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.007489"
                                 y3="2.410732"
                                 z3="2.824882"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.367458"
                                 y3="-2.591896"
                                 z3="0.037156"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.406242"
                                 y3="2.823145"
                                 z3="-0.021565"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.329576"
                                 y3="2.753699"
                                 z3="0.422386"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.531483"
                                 y3="4.072961"
                                 z3="0.26022"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.518569"
                                 y3="3.920625"
                                 z3="-0.003533"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.57506"
                                 y3="-0.008359"
                                 z3="2.417253"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.821279"
                                 y3="-0.001189"
                                 z3="2.407481"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.762017"
                                 y3="0.394693"
                                 z3="-2.321479"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.907339"
                                 y3="-1.023876"
                                 z3="0.936212"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.125717"
                                 y3="-1.110863"
                                 z3="-1.120208"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.923139"
                                 y3="0.897734"
                                 z3="-1.017675"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.016691"
                                 y3="0.915026"
                                 z3="0.91797"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.310624"
                                 y3="-1.099925"
                                 z3="1.0573"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.711689"
                                 y3="-1.198179"
                                 z3="-1.272113"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.072764"
                                 y3="0.288683"
                                 z3="3.528642"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.076412"
                                 y3="1.292303"
                                 z3="1.126557"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.289606"
                                 y3="3.538943"
                                 z3="4.067975"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.299925"
                                 y3="1.128192"
                                 z3="3.073387"/>
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                                 id="a23"
                                 x3="-1.100798"
                                 y3="1.023843"
                                 z3="-3.352204"/>
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                                 x3="-1.17112"
                                 y3="-1.276704"
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                                 x3="-1.287458"
                                 y3="2.700012"
                                 z3="-1.179042"/>
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                                 id="a26"
                                 x3="-0.220167"
                                 y3="3.66241"
                                 z3="-3.669591"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.141819"
                                 y3="3.06429"
                                 z3="1.298485"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.976694"
                                 y3="-3.325466"
                                 z3="-1.017769"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.388743"
                                 y3="-1.495485"
                                 z3="1.445216"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.927057"
                                 y3="-0.034128"
                                 z3="-3.510703"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.572493"
                                 y3="1.701197"
                                 z3="-1.37487"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.364255"
                                 y3="1.582789"
                                 z3="1.462389"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.730985"
                                 y3="-1.368372"
                                 z3="3.604827"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.582405"
                                 y3="1.426002"
                                 z3="-3.36899"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.47719"
                                 y3="1.441441"
                                 z3="3.412349"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.173124"
                                 y3="-0.187847"
                                 z3="-0.163999"/>
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                                 id="a37"
                                 x3="-3.67689"
                                 y3="-0.214061"
                                 z3="3.693416"/>
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                                 id="a38"
                                 x3="-1.362904"
                                 y3="3.572278"
                                 z3="1.711534"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.443572"
                                 y3="-3.379122"
                                 z3="1.64714"/>
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                                 id="a40"
                                 x3="1.42616"
                                 y3="3.392751"
                                 z3="-1.486196"/>
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                                 id="a41"
                                 x3="0.009731"
                                 y3="-3.51689"
                                 z3="4.023475"/>
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                                 id="a42"
                                 x3="-1.587747"
                                 y3="1.253359"
                                 z3="-4.175224"/>
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                                 id="a43"
                                 x3="-4.160573"
                                 y3="-1.550157"
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                           <atom elementType="H"
                                 id="a44"
                                 x3="1.180586"
                                 y3="-4.162096"
                                 z3="-1.493064"/>
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                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a15" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1/p-3/rAsH3Mo7O31W2/c9-1(10,11)24-41(23)37-4(15,16)26-2(12)25-3(13,14)28-7(20)31-6(19,27-2,29-4)32-8(21,33-7,39-41)30-5(17,18,38-41)35-40(22,34-3)36-7/h13,15,17H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s12;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4269,-2.3526,2.8441;3.6279,-3.7071,-.1981;-.0049,2.3659,-2.5948;-.0075,2.4107,2.8249;2.3675,-2.5919,.0372;2.4062,2.8231,-.0216;-2.3296,2.7537,.4224;3.5315,4.073,.2602;-3.5186,3.9206,-.0035;-2.5751,-.0084,2.4173;2.8213,-.0012,2.4075;2.762,.3947,-2.3215;.9073,-1.0239,.9362;-1.1257,-1.1109,-1.1202;.9231,.8977,-1.0177;-1.0167,.915,.918;-3.3106,-1.0999,1.0573;2.7117,-1.1982,-1.2721;4.0728,.2887,3.5286;3.0764,1.2923,1.1266;.2896,3.5389,4.068;1.2999,1.1282,3.0734;-1.1008,1.0238,-3.3522;-1.1711,-1.2767,2.7839;-1.2875,2.7,-1.179;-.2202,3.6624,-3.6696;1.1418,3.0643,1.2985;.9767,-3.3255,-1.0178;3.3887,-1.4955,1.4452;3.9271,-.0341,-3.5107;3.5725,1.7012,-1.3749;-3.3643,1.5828,1.4624;1.731,-1.3684,3.6048;1.5824,1.426,-3.369;-1.4772,1.4414,3.4123;-.1731,-.1878,-.164;-3.6769,-.2141,3.6934;-1.3629,3.5723,1.7115;1.4436,-3.3791,1.6471;1.4262,3.3928,-1.4862;.0097,-3.5169,4.0235;-1.5877,1.2534,-4.1752;-4.1606,-1.5502,1.2624;1.1806,-4.1621,-1.4931;/R:/0/N:36,1,10,5,3,11,4,6,13,14,16,41,17,37,28,2,23,26,19,21,8,9,30,15,24,39,33,35,29,40,22,20,27,32,25,38,18,34,31,7,12/E:(9,10,11)/CRV:1.4,9.1,10.1,11.1,12.1,14.1,16.1,18.1,19.1,20.1,21.1,22.1,23.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">25</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">25</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-12.42449482</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00203978</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">0.00059442</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">0.00203978</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00059442</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01243212</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">0.00294047</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="0.429255"
                                 y3="-2.35241"
                                 z3="2.843918"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.627305"
                                 y3="-3.705261"
                                 z3="-0.202431"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="-0.006513"
                                 y3="2.365816"
                                 z3="-2.593099"/>
                           <atom elementType="Mo"
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                                 x3="-0.007256"
                                 y3="2.410053"
                                 z3="2.825602"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.36739"
                                 y3="-2.589902"
                                 z3="0.035836"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.405977"
                                 y3="2.823007"
                                 z3="-0.02114"/>
                           <atom elementType="W"
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                                 x3="-2.329451"
                                 y3="2.753526"
                                 z3="0.424969"/>
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                                 x3="3.530261"
                                 y3="4.074621"
                                 z3="0.257574"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.51762"
                                 y3="3.921862"
                                 z3="-0.000405"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.574039"
                                 y3="-0.010259"
                                 z3="2.417053"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.821599"
                                 y3="-0.0012"
                                 z3="2.407132"/>
                           <atom elementType="W"
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                                 x3="2.761488"
                                 y3="0.396842"
                                 z3="-2.321839"/>
                           <atom elementType="O"
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                                 x3="0.904632"
                                 y3="-1.025166"
                                 z3="0.934814"/>
                           <atom elementType="O"
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                                 z3="-1.122099"/>
                           <atom elementType="O"
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                                 y3="0.894913"
                                 z3="-1.019737"/>
                           <atom elementType="O"
                                 id="a16"
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                                 y3="0.913406"
                                 z3="0.916548"/>
                           <atom elementType="O"
                                 id="a17"
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                                 y3="-1.096981"
                                 z3="1.054985"/>
                           <atom elementType="O"
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                                 y3="-1.198383"
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                                 y3="0.285173"
                                 z3="3.525724"/>
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                                 id="a20"
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                                 y3="1.293113"
                                 z3="1.127127"/>
                           <atom elementType="O"
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                                 y3="3.537037"
                                 z3="4.070781"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.301675"
                                 y3="1.129469"
                                 z3="3.073812"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.096408"
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                                 z3="-3.353635"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.171456"
                                 y3="-1.279248"
                                 z3="2.78278"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.289643"
                                 y3="2.697633"
                                 z3="-1.178491"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.223846"
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                                 z3="-3.669704"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.142859"
                                 y3="3.065076"
                                 z3="1.299708"/>
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                                 id="a28"
                                 x3="0.972037"
                                 y3="-3.327334"
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                                 x3="3.388265"
                                 y3="-1.492887"
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                                 id="a30"
                                 x3="3.927527"
                                 y3="-0.031814"
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                           <atom elementType="O"
                                 id="a31"
                                 x3="3.573859"
                                 y3="1.700237"
                                 z3="-1.372221"/>
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                                 x3="-3.363909"
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                                 id="a33"
                                 x3="1.7306"
                                 y3="-1.364372"
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                                 id="a34"
                                 x3="1.586225"
                                 y3="1.432922"
                                 z3="-3.368244"/>
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                                 id="a35"
                                 x3="-1.474087"
                                 y3="1.43809"
                                 z3="3.411864"/>
                           <atom elementType="As"
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                                 x3="-0.176125"
                                 y3="-0.189823"
                                 z3="-0.165958"/>
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                                 x3="-3.678263"
                                 y3="-0.21759"
                                 z3="3.691157"/>
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                                 id="a38"
                                 x3="-1.359828"
                                 y3="3.573201"
                                 z3="1.711039"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.450394"
                                 y3="-3.377921"
                                 z3="1.651573"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.423891"
                                 y3="3.391841"
                                 z3="-1.483669"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.012891"
                                 y3="-3.51581"
                                 z3="4.024727"/>
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                                 id="a42"
                                 x3="-1.575315"
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                                 z3="-4.182411"/>
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                                 x3="-4.165853"
                                 y3="-1.541985"
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                           <atom elementType="H"
                                 id="a44"
                                 x3="1.176017"
                                 y3="-4.164174"
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                        <bondArray>
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                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a15" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1/p-3/rAsH3Mo7O31W2/c9-1(10,11)24-41(23)37-4(15,16)26-2(12)25-3(13,14)28-7(20)31-6(19,27-2,29-4)32-8(21,33-7,39-41)30-5(17,18,38-41)35-40(22,34-3)36-7/h13,15,17H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s12;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4293,-2.3524,2.8439;3.6273,-3.7053,-.2024;-.0065,2.3658,-2.5931;-.0073,2.4101,2.8256;2.3674,-2.5899,.0358;2.406,2.823,-.0211;-2.3295,2.7535,.425;3.5303,4.0746,.2576;-3.5176,3.9219,-.0004;-2.574,-.0103,2.4171;2.8216,-.0012,2.4071;2.7615,.3968,-2.3218;.9046,-1.0252,.9348;-1.1297,-1.1119,-1.1221;.9212,.8949,-1.0197;-1.0188,.9134,.9165;-3.3125,-1.097,1.055;2.7099,-1.1984,-1.2745;4.0764,.2852,3.5257;3.0759,1.2931,1.1271;.2866,3.537,4.0708;1.3017,1.1295,3.0738;-1.0964,1.0211,-3.3536;-1.1715,-1.2792,2.7828;-1.2896,2.6976,-1.1785;-.2238,3.6608,-3.6697;1.1429,3.0651,1.2997;.972,-3.3273,-1.0108;3.3883,-1.4929,1.4421;3.9275,-.0318,-3.5105;3.5739,1.7002,-1.3722;-3.3639,1.5862,1.4691;1.7306,-1.3644,3.6051;1.5862,1.4329,-3.3682;-1.4741,1.4381,3.4119;-.1761,-.1898,-.166;-3.6783,-.2176,3.6912;-1.3598,3.5732,1.711;1.4504,-3.3779,1.6516;1.4239,3.3918,-1.4837;.0129,-3.5158,4.0247;-1.5753,1.2472,-4.1824;-4.1659,-1.542,1.2571;1.176,-4.1642,-1.4857;/R:/0/N:36,1,10,5,3,11,4,6,13,14,16,41,17,37,28,2,23,26,19,21,8,9,30,15,24,39,33,35,29,40,22,20,27,32,25,38,18,34,31,7,12/E:(9,10,11)/CRV:1.4,9.1,10.1,11.1,12.1,14.1,16.1,18.1,19.1,20.1,21.1,22.1,23.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">26</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">26</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-12.42453647</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00138507</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">0.00037697</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">0.00138507</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00037697</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00281424</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">0.00080940</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="Mo"
                                 id="a1"
                                 x3="0.429845"
                                 y3="-2.352181"
                                 z3="2.843997"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.626818"
                                 y3="-3.705058"
                                 z3="-0.20305"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="-0.006863"
                                 y3="2.365614"
                                 z3="-2.592618"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="-0.007328"
                                 y3="2.409479"
                                 z3="2.825884"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.367129"
                                 y3="-2.58946"
                                 z3="0.035786"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.405327"
                                 y3="2.822885"
                                 z3="-0.021321"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.329047"
                                 y3="2.753991"
                                 z3="0.425523"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.529353"
                                 y3="4.075224"
                                 z3="0.255922"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.51701"
                                 y3="3.92279"
                                 z3="0.000137"/>
                           <atom elementType="Mo"
                                 id="a10"
                                 x3="-2.573837"
                                 y3="-0.010344"
                                 z3="2.416472"/>
                           <atom elementType="Mo"
                                 id="a11"
                                 x3="2.821696"
                                 y3="-0.001821"
                                 z3="2.406648"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.761421"
                                 y3="0.397493"
                                 z3="-2.321893"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.904277"
                                 y3="-1.024667"
                                 z3="0.934889"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.13037"
                                 y3="-1.112061"
                                 z3="-1.121512"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.921186"
                                 y3="0.89451"
                                 z3="-1.019644"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.018556"
                                 y3="0.913911"
                                 z3="0.916581"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.312541"
                                 y3="-1.096214"
                                 z3="1.054011"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.709171"
                                 y3="-1.197255"
                                 z3="-1.273733"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.077747"
                                 y3="0.283166"
                                 z3="3.524349"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.075157"
                                 y3="1.293223"
                                 z3="1.126787"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.284768"
                                 y3="3.535941"
                                 z3="4.072103"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.302305"
                                 y3="1.129311"
                                 z3="3.074359"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.095667"
                                 y3="1.020193"
                                 z3="-3.353081"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.170656"
                                 y3="-1.278785"
                                 z3="2.78209"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.288728"
                                 y3="2.696781"
                                 z3="-1.177221"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.225429"
                                 y3="3.65956"
                                 z3="-3.670471"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.142568"
                                 y3="3.065326"
                                 z3="1.29984"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.970936"
                                 y3="-3.327568"
                                 z3="-1.009361"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.388364"
                                 y3="-1.492633"
                                 z3="1.44112"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.927796"
                                 y3="-0.031358"
                                 z3="-3.510505"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.574433"
                                 y3="1.700303"
                                 z3="-1.372212"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.364053"
                                 y3="1.587355"
                                 z3="1.470041"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.730987"
                                 y3="-1.364063"
                                 z3="3.605469"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.587246"
                                 y3="1.43404"
                                 z3="-3.368592"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.473164"
                                 y3="1.436635"
                                 z3="3.411968"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.176405"
                                 y3="-0.189842"
                                 z3="-0.165856"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.679236"
                                 y3="-0.218538"
                                 z3="3.689557"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.359669"
                                 y3="3.57368"
                                 z3="1.71146"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.451458"
                                 y3="-3.378156"
                                 z3="1.652644"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.422625"
                                 y3="3.391752"
                                 z3="-1.483391"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.013223"
                                 y3="-3.515285"
                                 z3="4.025186"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.572501"
                                 y3="1.244986"
                                 z3="-4.183354"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.166628"
                                 y3="-1.540157"
                                 z3="1.255407"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.175353"
                                 y3="-4.164004"
                                 z3="-1.484814"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a15" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsMo7O31W2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1610.1629999999977</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1/p-3/rAsH3Mo7O31W2/c9-1(10,11)24-41(23)37-4(15,16)26-2(12)25-3(13,14)28-7(20)31-6(19,27-2,29-4)32-8(21,33-7,39-41)30-5(17,18,38-41)35-40(22,34-3)36-7/h13,15,17H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s12;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4298,-2.3522,2.844;3.6268,-3.7051,-.2031;-.0069,2.3656,-2.5926;-.0073,2.4095,2.8259;2.3671,-2.5895,.0358;2.4053,2.8229,-.0213;-2.329,2.754,.4255;3.5294,4.0752,.2559;-3.517,3.9228,.0001;-2.5738,-.0103,2.4165;2.8217,-.0018,2.4066;2.7614,.3975,-2.3219;.9043,-1.0247,.9349;-1.1304,-1.1121,-1.1215;.9212,.8945,-1.0196;-1.0186,.9139,.9166;-3.3125,-1.0962,1.054;2.7092,-1.1973,-1.2737;4.0777,.2832,3.5243;3.0752,1.2932,1.1268;.2848,3.5359,4.0721;1.3023,1.1293,3.0744;-1.0957,1.0202,-3.3531;-1.1707,-1.2788,2.7821;-1.2887,2.6968,-1.1772;-.2254,3.6596,-3.6705;1.1426,3.0653,1.2998;.9709,-3.3276,-1.0094;3.3884,-1.4926,1.4411;3.9278,-.0314,-3.5105;3.5744,1.7003,-1.3722;-3.3641,1.5874,1.47;1.731,-1.3641,3.6055;1.5872,1.434,-3.3686;-1.4732,1.4366,3.412;-.1764,-.1898,-.1659;-3.6792,-.2185,3.6896;-1.3597,3.5737,1.7115;1.4515,-3.3782,1.6526;1.4226,3.3918,-1.4834;.0132,-3.5153,4.0252;-1.5725,1.245,-4.1834;-4.1666,-1.5402,1.2554;1.1754,-4.164,-1.4848;/R:/0/N:36,1,10,5,3,11,4,6,13,14,16,41,17,37,28,2,23,26,19,21,8,9,30,15,24,39,33,35,29,40,22,20,27,32,25,38,18,34,31,7,12/E:(9,10,11)/CRV:1.4,9.1,10.1,11.1,12.1,14.1,16.1,18.1,19.1,20.1,21.1,22.1,23.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">27</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">27</scalar>
                        <scalar dataType="xsd:string" dictRef="x:converged">CONVERGED</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-12.42454499</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00092523</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">0.00031080</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">0.00092523</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00031080</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00191761</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">0.00047290</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">0</scalar>
                     </module>
                  </module>
                  <module cmlx:templateRef="adf.frequencyanalysis">
                     <module cmlx:templateRef="masses">
                        <array dataType="xsd:string" dictRef="cc:elementType" size="44">Mo O Mo Mo Mo Mo W O O Mo Mo W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O H H H</array>
                        <array dataType="xsd:double" dictRef="cc:atomicmass" size="44">97.90540600 15.99491400 97.90540600 97.90540600 97.90540600 97.90540600 183.95093200 15.99491400 15.99491400 97.90540600 97.90540600 183.95093200 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 74.92159600 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 1.00782500 1.00782500 1.00782500</array>
                     </module>
                     <module cmlx:templateRef="thermochemistry">
                        <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.000000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.150000</scalar>
                        <array dataType="xsd:double" dictRef="cc:moi" size="3">41562.0523 45380.9095 61654.2872</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">48.033</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:rotat"
                                      units="nonsi2:cal.mol-1.K-1">39.983</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:vibrat"
                                      units="nonsi2:cal.mol-1.K-1">199.284</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:total"
                                      units="nonsi2:cal.mol-1.K-1">287.300</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">112.735</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi2:kcal.mol-1">114.512</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">175.247</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:total"
                                      units="nonsi2:cal.mol-1.K-1">181.209</scalar>
                           </list>
                        </module>
                     </module>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">148265.53</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">432.43</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">149518.93</scalar>
               </property>
               <property dictRef="cc:zeropoint">
                  <scalar dataType="xsd:double"
                          dictRef="cc:zeropoint"
                          units="nonsi:electronvolt">3.553946</scalar>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                     <array dataType="xsd:double" dictRef="cc:frequency" size="126">-172.395 -154.329 -133.353 24.224 32.870 35.374 52.901 53.632 63.171 71.616 75.135 77.734 82.311 85.213 86.920 97.682 104.397 106.569 112.267 117.213 118.188 126.449 127.087 133.485 145.043 147.026 156.038 158.908 159.667 163.060 166.230 173.762 177.190 180.064 183.096 189.695 193.887 197.443 199.652 200.276 204.292 208.890 209.610 210.827 212.883 213.404 217.459 222.887 228.494 229.586 231.357 232.661 240.559 245.869 247.725 250.257 256.722 261.966 264.222 269.979 270.318 271.026 297.706 299.454 310.238 317.822 319.969 329.095 331.523 335.135 339.649 342.240 345.349 349.692 366.473 369.961 384.142 404.407 412.198 419.540 430.492 434.554 441.095 446.654 453.696 456.673 468.226 480.833 487.180 564.969 569.601 573.714 585.244 589.174 593.661 638.620 648.029 653.097 657.986 683.172 685.413 690.118 691.168 694.507 739.532 755.464 757.482 794.221 806.189 814.540 833.577 858.965 860.761 928.254 954.619 963.446 964.178 964.481 965.030 965.937 976.442 977.947 985.233 3596.586 3598.006 3599.194</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="44">Mo O Mo Mo Mo Mo W O O Mo Mo W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O H H H</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="16632">0.002 -0.002 0.000 -0.003 -0.004 0.006 -0.013 0.003 0.010 0.002 -0.001 -0.000 0.001 0.003 -0.004 0.001 0.001 -0.002 -0.003 -0.001 0.005 -0.001 0.001 0.002 0.003 0.001 -0.004 0.004 -0.003 0.003 0.001 -0.001 0.000 -0.001 0.003 -0.003 -0.001 0.001 0.001 -0.000 0.001 0.000 -0.003 0.003 -0.000 -0.003 0.002 -0.002 -0.002 0.003 0.002 -0.007 -0.004 0.001 0.001 -0.001 0.000 -0.002 -0.000 0.003 0.001 0.001 -0.001 -0.001 -0.001 0.003 -0.028 0.019 0.011 -0.005 0.001 -0.003 0.000 -0.011 -0.012 0.072 -0.028 -0.045 -0.003 -0.003 0.000 -0.000 -0.004 0.002 -0.001 -0.002 0.001 0.005 -0.002 0.004 0.000 -0.001 0.008 -0.003 0.008 -0.002 -0.002 0.000 0.002 0.012 -0.004 -0.001 -0.002 0.003 -0.003 0.000 -0.000 0.000 -0.007 0.012 -0.004 -0.001 0.004 -0.005 -0.003 -0.001 0.004 0.001 0.003 0.002 -0.001 0.001 0.001 0.744 -0.337 -0.528 -0.088 0.138 -0.066 -0.034 -0.058 0.083 -0.008 0.006 0.002 0.005 0.010 -0.014 -0.000 0.000 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                        <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">114.713</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi2:kcal.mol-1">116.491</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">180.569</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:total"
                                   units="nonsi2:cal.mol-1.K-1">186.531</scalar>
                        </list>
                     </module>
                  </module>
               </property>
            </propertyList>
            <molecule id="finalization.0">
               <atomArray>
                  <atom elementType="Mo"
                        id="a1"
                        x3="0.429845"
                        y3="-2.352181"
                        z3="2.843997"/>
                  <atom elementType="O"
                        id="a2"
                        x3="3.626818"
                        y3="-3.705058"
                        z3="-0.20305"/>
                  <atom elementType="Mo"
                        id="a3"
                        x3="-0.006863"
                        y3="2.365614"
                        z3="-2.592618"/>
                  <atom elementType="Mo"
                        id="a4"
                        x3="-0.007328"
                        y3="2.409479"
                        z3="2.825884"/>
                  <atom elementType="Mo"
                        id="a5"
                        x3="2.367129"
                        y3="-2.58946"
                        z3="0.035786"/>
                  <atom elementType="Mo"
                        id="a6"
                        x3="2.405327"
                        y3="2.822885"
                        z3="-0.021321"/>
                  <atom elementType="W"
                        id="a7"
                        x3="-2.329047"
                        y3="2.753991"
                        z3="0.425523"/>
                  <atom elementType="O"
                        id="a8"
                        x3="3.529353"
                        y3="4.075224"
                        z3="0.255922"/>
                  <atom elementType="O"
                        id="a9"
                        x3="-3.51701"
                        y3="3.92279"
                        z3="0.000137"/>
                  <atom elementType="Mo"
                        id="a10"
                        x3="-2.573837"
                        y3="-0.010344"
                        z3="2.416472"/>
                  <atom elementType="Mo"
                        id="a11"
                        x3="2.821696"
                        y3="-0.001821"
                        z3="2.406648"/>
                  <atom elementType="W"
                        id="a12"
                        x3="2.761421"
                        y3="0.397493"
                        z3="-2.321893"/>
                  <atom elementType="O"
                        id="a13"
                        x3="0.904277"
                        y3="-1.024667"
                        z3="0.934889"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-1.13037"
                        y3="-1.112061"
                        z3="-1.121512"/>
                  <atom elementType="O"
                        id="a15"
                        x3="0.921186"
                        y3="0.89451"
                        z3="-1.019644"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-1.018556"
                        y3="0.913911"
                        z3="0.916581"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-3.312541"
                        y3="-1.096214"
                        z3="1.054011"/>
                  <atom elementType="O"
                        id="a18"
                        x3="2.709171"
                        y3="-1.197255"
                        z3="-1.273733"/>
                  <atom elementType="O"
                        id="a19"
                        x3="4.077747"
                        y3="0.283166"
                        z3="3.524349"/>
                  <atom elementType="O"
                        id="a20"
                        x3="3.075157"
                        y3="1.293223"
                        z3="1.126787"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.284768"
                        y3="3.535941"
                        z3="4.072103"/>
                  <atom elementType="O"
                        id="a22"
                        x3="1.302305"
                        y3="1.129311"
                        z3="3.074359"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-1.095667"
                        y3="1.020193"
                        z3="-3.353081"/>
                  <atom elementType="O"
                        id="a24"
                        x3="-1.170656"
                        y3="-1.278785"
                        z3="2.78209"/>
                  <atom elementType="O"
                        id="a25"
                        x3="-1.288728"
                        y3="2.696781"
                        z3="-1.177221"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.225429"
                        y3="3.65956"
                        z3="-3.670471"/>
                  <atom elementType="O"
                        id="a27"
                        x3="1.142568"
                        y3="3.065326"
                        z3="1.29984"/>
                  <atom elementType="O"
                        id="a28"
                        x3="0.970936"
                        y3="-3.327568"
                        z3="-1.009361"/>
                  <atom elementType="O"
                        id="a29"
                        x3="3.388364"
                        y3="-1.492633"
                        z3="1.44112"/>
                  <atom elementType="O"
                        id="a30"
                        x3="3.927796"
                        y3="-0.031358"
                        z3="-3.510505"/>
                  <atom elementType="O"
                        id="a31"
                        x3="3.574433"
                        y3="1.700303"
                        z3="-1.372212"/>
                  <atom elementType="O"
                        id="a32"
                        x3="-3.364053"
                        y3="1.587355"
                        z3="1.470041"/>
                  <atom elementType="O"
                        id="a33"
                        x3="1.730987"
                        y3="-1.364063"
                        z3="3.605469"/>
                  <atom elementType="O"
                        id="a34"
                        x3="1.587246"
                        y3="1.43404"
                        z3="-3.368592"/>
                  <atom elementType="O"
                        id="a35"
                        x3="-1.473164"
                        y3="1.436635"
                        z3="3.411968"/>
                  <atom elementType="As"
                        id="a36"
                        x3="-0.176405"
                        y3="-0.189842"
                        z3="-0.165856"/>
                  <atom elementType="O"
                        id="a37"
                        x3="-3.679236"
                        y3="-0.218538"
                        z3="3.689557"/>
                  <atom elementType="O"
                        id="a38"
                        x3="-1.359669"
                        y3="3.57368"
                        z3="1.71146"/>
                  <atom elementType="O"
                        id="a39"
                        x3="1.451458"
                        y3="-3.378156"
                        z3="1.652644"/>
                  <atom elementType="O"
                        id="a40"
                        x3="1.422625"
                        y3="3.391752"
                        z3="-1.483391"/>
                  <atom elementType="O"
                        id="a41"
                        x3="0.013223"
                        y3="-3.515285"
                        z3="4.025186"/>
                  <atom elementType="H"
                        id="a42"
                        x3="-1.572501"
                        y3="1.244986"
                        z3="-4.183354"/>
                  <atom elementType="H"
                        id="a43"
                        x3="-4.166628"
                        y3="-1.540157"
                        z3="1.255407"/>
                  <atom elementType="H"
                        id="a44"
                        x3="1.175353"
                        y3="-4.164004"
                        z3="-1.484814"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a1 a41" order="S"/>
                  <bond atomRefs2="a1 a33" order="S"/>
                  <bond atomRefs2="a1 a39" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a25" order="S"/>
                  <bond atomRefs2="a3 a26" order="S"/>
                  <bond atomRefs2="a3 a23" order="S"/>
                  <bond atomRefs2="a3 a34" order="S"/>
                  <bond atomRefs2="a3 a40" order="S"/>
                  <bond atomRefs2="a4 a21" order="S"/>
                  <bond atomRefs2="a4 a38" order="S"/>
                  <bond atomRefs2="a4 a35" order="S"/>
                  <bond atomRefs2="a4 a27" order="S"/>
                  <bond atomRefs2="a4 a22" order="S"/>
                  <bond atomRefs2="a5 a39" order="S"/>
                  <bond atomRefs2="a5 a29" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a28" order="S"/>
                  <bond atomRefs2="a6 a20" order="S"/>
                  <bond atomRefs2="a6 a27" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a31" order="S"/>
                  <bond atomRefs2="a6 a40" order="S"/>
                  <bond atomRefs2="a7 a32" order="S"/>
                  <bond atomRefs2="a7 a25" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a38" order="S"/>
                  <bond atomRefs2="a10 a24" order="S"/>
                  <bond atomRefs2="a10 a37" order="S"/>
                  <bond atomRefs2="a10 a17" order="S"/>
                  <bond atomRefs2="a10 a32" order="S"/>
                  <bond atomRefs2="a10 a35" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a22" order="S"/>
                  <bond atomRefs2="a12 a34" order="S"/>
                  <bond atomRefs2="a12 a31" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a30" order="S"/>
                  <bond atomRefs2="a13 a36" order="S"/>
                  <bond atomRefs2="a14 a36" order="S"/>
                  <bond atomRefs2="a15 a36" order="S"/>
                  <bond atomRefs2="a16 a36" order="S"/>
                  <bond atomRefs2="a17 a43" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
               </bondArray>
               <formula concise="H3AsMo7O31W2"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1610.1629999999977</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/AsO4.7Mo.3H2O.24O.2W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1/p-3/rAsH3Mo7O31W2/c9-1(10,11)24-41(23)37-4(15,16)26-2(12)25-3(13,14)28-7(20)31-6(19,27-2,29-4)32-8(21,33-7,39-41)30-5(17,18,38-41)35-40(22,34-3)36-7/h13,15,17H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;3;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1MoMoMoMoWO1O1MoMoWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s12;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4298,-2.3522,2.844;3.6268,-3.7051,-.2031;-.0069,2.3656,-2.5926;-.0073,2.4095,2.8259;2.3671,-2.5895,.0358;2.4053,2.8229,-.0213;-2.329,2.754,.4255;3.5294,4.0752,.2559;-3.517,3.9228,.0001;-2.5738,-.0103,2.4165;2.8217,-.0018,2.4066;2.7614,.3975,-2.3219;.9043,-1.0247,.9349;-1.1304,-1.1121,-1.1215;.9212,.8945,-1.0196;-1.0186,.9139,.9166;-3.3125,-1.0962,1.054;2.7092,-1.1973,-1.2737;4.0777,.2832,3.5243;3.0752,1.2932,1.1268;.2848,3.5359,4.0721;1.3023,1.1293,3.0744;-1.0957,1.0202,-3.3531;-1.1707,-1.2788,2.7821;-1.2887,2.6968,-1.1772;-.2254,3.6596,-3.6705;1.1426,3.0653,1.2998;.9709,-3.3276,-1.0094;3.3884,-1.4926,1.4411;3.9278,-.0314,-3.5105;3.5744,1.7003,-1.3722;-3.3641,1.5874,1.47;1.731,-1.3641,3.6055;1.5872,1.434,-3.3686;-1.4732,1.4366,3.412;-.1764,-.1898,-.1659;-3.6792,-.2185,3.6896;-1.3597,3.5737,1.7115;1.4515,-3.3782,1.6526;1.4226,3.3918,-1.4834;.0132,-3.5153,4.0252;-1.5725,1.245,-4.1834;-4.1666,-1.5402,1.2554;1.1754,-4.164,-1.4848;/R:/0/N:36,1,10,5,3,11,4,6,13,14,16,41,17,37,28,2,23,26,19,21,8,9,30,15,24,39,33,35,29,40,22,20,27,32,25,38,18,34,31,7,12/E:(9,10,11)/CRV:1.4,9.1,10.1,11.1,12.1,14.1,16.1,18.1,19.1,20.1,21.1,22.1,23.1</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="orbital.energies.zora" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="20">170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189</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">-8.212 -8.183 -8.154 -8.093 -8.063 -8.040 -7.956 -7.944 -7.272 -7.270 -5.672 -5.628 -5.384 -4.746 -4.703 -4.676 -4.654 -4.642 -4.543 -4.447</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">0.00000000067349</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00036048947668</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00019457438772</scalar>
               </module>
               <module cmlx:templateRef="qtaim" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="atoms">
                     <array dataType="xsd:integer" dictRef="a:id" size="44">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44</array>
                     <array dataType="xsd:integer" dictRef="cc:atomicNumber" size="44">42 42 42 42 42 42 42 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 74 74 33 1 1 1</array>
                     <array dataType="xsd:double" dictRef="x:coords" size="132">0.429845 -2.352181 2.843997 -0.006863 2.365614 -2.592618 -0.007328 2.409479 2.825884 2.367129 -2.589460 0.035786 2.405327 2.822885 -0.021321 -2.573837 -0.010344 2.416472 2.821696 -0.001821 2.406648 3.626818 -3.705058 -0.203050 3.529353 4.075223 0.255922 -3.517010 3.922790 0.000137 0.904277 -1.024667 0.934889 -1.130370 -1.112061 -1.121512 0.921186 0.894510 -1.019644 -1.018556 0.913911 0.916581 -3.312541 -1.096214 1.054011 2.709171 -1.197255 -1.273733 4.077747 0.283166 3.524348 3.075156 1.293223 1.126787 0.284768 3.535941 4.072103 1.302305 1.129311 3.074359 -1.095667 1.020193 -3.353081 -1.170656 -1.278785 2.782090 -1.288728 2.696781 -1.177221 -0.225429 3.659560 -3.670471 1.142568 3.065326 1.299840 0.970936 -3.327568 -1.009361 3.388364 -1.492633 1.441120 3.927796 -0.031358 -3.510505 3.574433 1.700303 -1.372212 -3.364053 1.587355 1.470041 1.730987 -1.364063 3.605469 1.587245 1.434040 -3.368592 -1.473164 1.436635 3.411968 -3.679236 -0.218538 3.689557 -1.359669 3.573680 1.711460 1.451458 -3.378156 1.652644 1.422625 3.391752 -1.483391 0.013223 -3.515284 4.025186 -2.329046 2.753991 0.425523 2.761421 0.397493 -2.321893 -0.176405 -0.189842 -0.165856 -1.572501 1.244986 -4.183354 -4.166628 -1.540157 1.255407 1.175353 -4.164004 -1.484814</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">0.429845</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.352181</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.843997</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240648E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">2</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.006863</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.365614</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.592618</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240648E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.007328</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.409479</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.825884</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240647E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">4</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.367129</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.589460</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.035786</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240648E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">5</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.405327</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.822885</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.021321</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240647E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">6</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.573837</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.010344</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.416472</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240648E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">7</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.821696</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.001821</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.406648</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240647E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">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">3.626818</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.705058</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.203050</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3196725E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">9</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.529353</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">4.075223</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.255922</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3196165E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">10</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.517010</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.922790</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.000137</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3194558E+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">0.904277</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.024667</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.934889</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190101E+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">-1.130370</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.112061</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.121512</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3194198E+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">0.921186</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.894510</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.019644</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189930E+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">-1.018556</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.913911</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.916581</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189918E+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">-3.312541</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.096214</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.054011</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188672E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">16</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.709171</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.197255</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.273733</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188709E+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">4.077747</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.283166</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.524348</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3196194E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">18</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.075156</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.293223</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.126787</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190650E+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">0.284768</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.535941</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">4.072103</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3196191E+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">1.302305</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.129311</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.074359</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190484E+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">-1.095667</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.020193</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.353081</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188660E+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">-1.170656</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.278785</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.782090</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189469E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">23</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.288728</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.696781</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.177221</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188678E+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">-0.225429</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.659560</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.670471</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3196764E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">25</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.142568</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.065326</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.299840</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190549E+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">0.970936</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.327568</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.009361</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188766E+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">3.388364</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.492633</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.441120</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191618E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">28</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.927796</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.031358</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.510505</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3194584E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">29</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.574433</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.700303</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.372212</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191477E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">30</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.364053</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.587355</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.470041</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190789E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">31</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.730987</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.364063</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.605469</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192461E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">32</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.587245</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.434040</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.368592</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190766E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">33</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.473164</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.436635</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.411968</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191656E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">34</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.679236</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.218538</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.689557</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3196717E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">35</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.359669</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.573680</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.711460</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191434E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">36</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.451458</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.378156</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.652644</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191620E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">37</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.422625</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.391752</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.483391</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191669E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">38</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.013223</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.515284</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">4.025186</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3196088E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">39</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.329046</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.753991</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.425523</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361415E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">40</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.761421</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.397493</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.321893</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361415E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">41</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.176405</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.189842</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.165856</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4276110E+05</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">42</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.572501</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.244986</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.183354</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4484195E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">43</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-4.166628</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.540157</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.255407</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4488302E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">44</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.175353</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.164004</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.484814</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4487659E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">45</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.946387</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.671239</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.417777</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6284810E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1349917E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8178416E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1054479E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2036784E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2503018E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6257546E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6095327E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5892543E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1775879E+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">0.4786245E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3314944E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1471301E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8565932E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2026156E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1175346E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5627528E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3361176E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4227676E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2088566E+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">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.387481</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.004853</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.069282</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3897271E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6293913E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3838198E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2186541E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4483371E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1576162E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3940405E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1347123E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4219685E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4082940E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2904058E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1867711E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1036347E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4529663E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9977098E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5814735E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1997956E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1128922E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4540061E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2910341E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">47</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.986273</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.585729</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.712830</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1537803E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3752148E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2094394E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2130613E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2269937E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5988495E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1497124E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1269875E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5079215E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1417613E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2265452E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3033779E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7683278E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6084889E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8685945E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6489384E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1543535E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2069781E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7005443E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4204235E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">48</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.973428</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.385812</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.194248</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2552444E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1995037E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1387218E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1329944E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5357683E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9510613E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2377653E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3581319E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7441579E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2238304E-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">0.4534018E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6690383E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2156365E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1195804E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1549928E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1165753E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2026330E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2794030E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7715226E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5753028E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">49</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.644763</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.787401</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.650420</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5828237E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1398457E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5667921E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1203049E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4325501E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2325443E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5813607E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1416338E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2596189E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2569401E-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">0.6391274E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6968942E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5776678E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1668917E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2877562E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1977367E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6697508E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7337524E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5799759E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2952393E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">50</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.962648</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.834379</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.908883</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1130927E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1355812E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4450650E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1260046E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2289699E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4219714E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1054929E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6145504E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4319043E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2089289E-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">0.1462666E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1870404E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4077375E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4039221E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6124766E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4241249E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1159760E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1477129E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6594899E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3657005E+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">0.495584</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.708550</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.490987</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5932128E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1708822E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4846581E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1114482E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1201295E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2278881E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5697202E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3841622E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5878174E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1367106E+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">0.4356287E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3015372E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1340915E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7931082E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1872440E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9610793E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3418658E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2102707E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4235693E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2811276E+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">-2.184856</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.041237</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.357040</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3136620E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1003541E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4312706E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5486757E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7211482E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1254497E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3136242E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1994347E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1713616E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2769379E+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">0.2986547E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2836852E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1496950E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7305796E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1414290E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8093883E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1772820E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1654155E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5165698E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4565542E+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">-3.165440</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.119177</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.099760</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2510293E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7195018E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4702402E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8711022E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5375583E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9264868E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2316217E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3475902E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7429869E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3625548E-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">0.4412343E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6508469E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2096126E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1169547E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1520486E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1133487E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2034577E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2828914E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7691924E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5571119E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">54</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.672759</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.409775</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.958232</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6069298E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7103170E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1855160E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4765654E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4929700E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2410178E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6025445E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5485129E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5773796E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1702865E+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">0.4596792E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3168138E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1428653E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8176542E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1932154E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1114897E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5272800E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3126027E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4231828E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2114431E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">55</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.868592</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.117597</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.982077</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1694829E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2670731E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1583396E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1553906E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1486956E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6471715E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1617929E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1533246E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5526756E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6237850E-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">0.2568935E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3519942E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9510066E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6927123E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9702153E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7175881E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1614100E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2188649E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7139779E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4445748E+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">-2.177118</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.043541</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.072349</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7071525E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1297494E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9675211E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8967694E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8598552E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2815041E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7037603E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1399272E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6377496E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3930267E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5439773E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3841944E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1597830E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1002465E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2371200E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1705250E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1254612E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7417588E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4227669E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1359185E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">57</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.825338</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.674558</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.598974</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1347851E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3986178E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3221436E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2333610E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2573625E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5688528E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1422132E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1006925E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4292231E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2192489E-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">0.1965441E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2508751E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5433093E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5103964E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7476776E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5943653E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1467491E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1920057E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6826424E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4050214E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">58</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.490550</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.490944</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.722115</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6031520E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1020110E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1904258E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8566713E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5200744E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2318692E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5796730E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3990306E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5939474E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1370658E+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">0.4438312E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3079894E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1358418E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8108753E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1915699E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9812620E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3468769E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2143800E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4232791E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2828848E+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">-1.765672</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.442573</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.630867</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5202685E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1478055E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9766078E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4679836E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1005919E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2026841E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5067103E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1089018E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2465127E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3726999E-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">0.5459910E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5852718E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3928077E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1434460E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2527213E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1686994E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6070409E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6468727E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5676054E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2779044E+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">-0.588504</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.457879</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.607302</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1062081E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3896819E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9829676E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1604092E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3412604E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4277266E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1069316E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1458435E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8267536E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1438181E+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">0.8602212E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6511259E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2090953E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1724229E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3962809E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2039052E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5603702E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4073307E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4351028E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3638759E+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">-0.034232</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.042720</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.824089</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4016825E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2173768E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1490456E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1564208E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2388783E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1643791E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4109477E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2730236E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4255052E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1956554E+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">0.3031085E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1952693E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1078392E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4715875E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1048513E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7683224E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4895793E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2500798E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4497680E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1569352E+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">-1.769671</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.713896</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.425240</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1482608E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3742762E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1709968E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8705498E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3213475E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6319504E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1579876E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1262152E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4528705E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1762725E-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">0.2245716E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2911556E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6658399E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5795445E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8332272E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6766448E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1606816E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2135218E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6955419E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4211091E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">63</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.938949</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.134335</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.580256</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1991814E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8088131E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2639329E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4594466E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6110867E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6871740E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1717935E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4614054E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1467668E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1742012E+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">0.1565516E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1413098E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1524188E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3987647E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8364220E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3735646E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6511925E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5624960E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4767507E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5736622E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">64</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.602983</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.594279</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.518029</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1010025E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2696848E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1188445E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1725114E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2414711E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4048290E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1012073E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1301146E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8033320E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1435528E+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">0.8102201E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6083676E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2018525E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1612481E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3725958E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1909360E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5384882E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3858967E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4327694E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3545779E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">65</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.015912</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.049159</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.392115</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3807801E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1399079E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2334781E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1359431E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2342159E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1549895E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3874737E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1275444E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4128269E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2581430E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2849757E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1824778E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1024980E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4391545E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9597400E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5675160E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1944820E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1094219E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4575766E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2918090E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">66</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.058176</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.771855</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.049393</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3972406E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9290581E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5924755E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5207601E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4908469E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1620654E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4051635E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2486026E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4236549E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1688159E+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">0.2987173E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1922710E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1064463E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4646471E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1029628E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7349749E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4453137E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2283390E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4512764E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1650465E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">67</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.981886</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.750786</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.917010</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9812218E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2330586E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1048796E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2014719E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5220772E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3869625E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9674062E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4726317E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3717260E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2266609E-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">0.1244288E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1521169E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2768813E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3342525E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5211441E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3758395E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1090568E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1350418E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6413820E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3446273E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">68</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.836568</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.865496</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.974381</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1173571E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1757643E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8496757E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1418170E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5967855E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4383399E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1095850E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6683440E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4422328E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2516907E-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">0.1538268E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1980686E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4424180E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4243564E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6387982E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4445725E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1196741E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1534889E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6643044E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3714861E+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">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.068443</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.381778</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.005024</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3823481E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2950463E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1431196E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2306104E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1157060E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1549226E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3873065E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1302896E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4158435E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4068248E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2850475E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1827885E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1022590E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4415674E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9663914E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5706037E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1993547E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1117715E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4569240E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2862253E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</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">-1.056540</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.055379</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.196837</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6921929E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3575688E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1010603E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1309991E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3169882E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2757758E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6894394E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1352025E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6282063E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3480437E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5318113E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3741832E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1576281E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9742893E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2305363E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1676269E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1250633E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7339673E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4226186E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1340337E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">71</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.374941</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.944513</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.635160</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6657635E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8331041E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3423576E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3684320E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6641623E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2662169E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6655423E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6960049E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6098796E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1801129E+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">0.5113450E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3571477E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1541973E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9250069E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2189305E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1263143E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5931443E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3604514E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4225116E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2129572E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">72</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.027888</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.174659</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.004014</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7478180E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2515303E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3020170E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2327424E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9047842E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2990391E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7475978E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1581057E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6589894E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4084994E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5805083E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4134189E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1670894E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1080056E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2550699E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1818104E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1312020E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7897218E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4234354E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1385729E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">73</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.788120</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.886691</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.115255</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1683062E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1596476E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7088270E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1204845E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7711347E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6435879E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1608970E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1490848E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5493369E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5624317E-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">0.2545757E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3482545E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9367875E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6863071E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9625495E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7105662E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1575684E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2126078E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7130097E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4509573E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">74</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.918728</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.413642</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.116857</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2439646E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8381529E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5536583E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3164981E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5438673E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9307429E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2326857E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1077962E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1519362E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2745855E+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">0.2140461E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1954065E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1863959E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5225815E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1058375E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5639916E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1380918E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1216625E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4937584E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4084179E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">75</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.677221</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.530060</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.838814</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1307384E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1365057E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8943080E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2178548E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1008035E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5545776E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1386444E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9500586E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4184623E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2435171E-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">0.1891254E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2396063E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5048097E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4900678E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7222150E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5756295E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1449138E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1888492E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6785622E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3972221E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">76</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.717124</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.993297</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.223800</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8942041E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1362913E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7758144E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1022132E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4592274E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3541375E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8853438E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3829467E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3479384E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1703137E-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">0.1103638E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1321932E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2182939E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2953253E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4688766E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3359419E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1005137E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1219591E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6298571E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3342250E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">77</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.779155</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.066889</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.065943</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4051225E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8160874E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2803674E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7538991E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1379450E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1651451E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4128626E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2591984E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4295940E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1701545E+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">0.3048023E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1967420E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1080603E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4769800E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1063144E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7507142E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4517909E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2331118E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4486503E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1661641E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">78</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.642638</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.640640</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.632869</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2128845E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3531827E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2056574E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2002246E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2057989E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6227294E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1556823E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1820425E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8398864E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5426721E-03</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3217140E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4877457E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1660317E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9388087E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1258487E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7239648E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1327986E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1792246E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7459819E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5451598E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">79</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.067881</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.066782</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.065860</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3397423E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2123686E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1569787E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3897598E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1376189E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1318767E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3296918E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6347789E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4012002E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1955806E-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">0.2418399E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1539881E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8785186E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3772112E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7861302E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4240519E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8342887E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5408026E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4798330E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5082795E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">80</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.581694</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.342386</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.350931</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1609448E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5372920E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2548309E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4392320E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1755540E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3978928E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9947321E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8953084E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8247237E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3590965E-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">0.2030453E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3066174E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1035721E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6465779E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9147778E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4364112E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1020690E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1378880E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7068141E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4275650E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">81</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.644886</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.664305</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.846632</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4793165E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1247886E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3673283E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6788936E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9805065E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1946285E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4865713E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9356996E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2239292E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3241095E-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">0.5059767E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5253821E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1940540E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1285923E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2300866E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1587000E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5834706E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6085703E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5588864E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2719931E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">82</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.533409</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.637344</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.848743</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2752006E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3038185E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3176903E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2811588E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1106622E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1048571E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2621427E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2249191E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1648533E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2047941E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2467870E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2314312E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1535573E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6136456E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1216414E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7344954E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2945987E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2643073E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5044712E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2493207E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">83</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.744808</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.882101</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.995927</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9635464E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4603099E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2987485E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2384906E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2564308E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3809591E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9523978E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4546074E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3663160E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2427751E-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">0.1216396E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1480394E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2639983E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3262486E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5104763E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3683475E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1076007E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1327264E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6391061E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3423282E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">84</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.585564</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.672330</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.015592</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1543157E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5870425E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1223097E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5550497E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1468983E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6039434E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1509859E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1284493E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5065631E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1442018E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2281304E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3052749E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7714450E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6113150E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8720349E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6548694E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1552686E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2082444E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7010213E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4217655E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">85</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.205393</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.975847</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.474978</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2444205E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2115779E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1038124E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3794708E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1804112E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8891697E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2222924E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3211394E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7404991E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2932824E-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">0.4225405E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6227887E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2002481E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1128674E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1474523E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1079270E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1950637E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2702188E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7654506E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5532912E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">86</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.969793</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.880642</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.199414</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1600828E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2116601E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3403040E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4251428E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2045347E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6057280E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1514320E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1331220E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5369203E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6388154E-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">0.2364662E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3215004E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8503420E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6419648E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9092050E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6613878E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1518448E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2040608E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7060726E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4355683E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">87</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.055250</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.316028</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.188494</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3173385E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7021050E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2954545E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2497074E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6555339E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1274004E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3185010E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2087140E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1720469E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2917317E+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">0.3036625E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2888240E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1483847E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7420195E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1433383E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8269166E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1841076E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1721945E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5176701E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4491486E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">88</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.411303</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.781278</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.801039</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1339822E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1587814E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1442531E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6594660E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7321753E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5665406E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1416351E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9937630E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4267048E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1423271E-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">0.1951507E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2486663E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5351560E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5063467E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7426172E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5908721E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1459720E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1907349E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6818408E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4047845E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">89</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.593202</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.741904</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.017645</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1075205E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2271073E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6391711E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1233687E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1796455E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4480915E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1120229E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6112772E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3738795E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3304775E-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">0.1444870E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1769511E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3246413E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3776068E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5782823E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4446252E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1237958E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1560750E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6529800E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3591602E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">90</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.148801</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.013830</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.493987</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2480076E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5960709E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5162158E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2943609E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4662069E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8602393E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2150598E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3200738E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7842159E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4605767E-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">0.4244621E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6338644E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2094023E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1150814E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1499441E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1050128E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1914273E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2669127E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7674952E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5485779E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">91</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.470142</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.621359</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.583733</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1076232E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1388916E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5512026E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1221081E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3663665E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4312103E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1078026E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1491584E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8383661E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1446017E+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">0.8693139E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6606020E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2087119E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1754929E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4027390E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2060899E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5615875E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4098258E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4357484E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3669773E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">92</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.341018</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.592246</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.363995</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1635997E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5287351E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3642919E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3816392E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3469447E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4045320E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1011330E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9272187E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8336132E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4781112E-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">0.2079317E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3147303E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1067987E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6608382E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9319701E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4453927E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1031740E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1396399E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7090766E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4316909E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">93</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.352516</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.328071</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.576703</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1598853E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2691953E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1214306E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2324529E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6071532E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3935860E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9839649E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8778446E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8246209E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3835241E-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">0.2008307E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3032649E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1024342E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6409090E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9079288E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4309140E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1010043E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1362972E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7059023E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4266293E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">94</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.718874</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.484121</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.490439</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6026313E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3928393E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1974381E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1248332E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3158443E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2307715E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5769289E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3953169E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5959142E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1370658E+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">0.4419193E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3069096E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1350096E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8099421E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1913431E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9754282E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3434769E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2123757E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4232930E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2839866E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">95</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.133974</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.978519</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.377820</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3284560E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1571441E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6460206E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1212971E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7620921E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1774321E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4435802E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6283190E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6072624E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5112185E-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">0.1532291E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7500385E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5968094E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1673740E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2076884E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1789119E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6118674E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1470735E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8058898E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2924031E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">96</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.545166</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.974466</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.173897</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1885985E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1968445E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1537997E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1076357E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5922820E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6518824E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1629706E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4418175E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1412562E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1887922E+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">0.1470147E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1310589E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1595586E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3707683E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7848362E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3546587E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7196848E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6077198E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4724148E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4927972E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">97</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.794761</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.625699</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.641588</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5876818E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9609673E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8089700E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5172353E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3864267E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2345545E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5863863E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1444257E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2609796E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2485645E-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">0.6459822E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7055782E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5959595E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1687491E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2904989E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1998518E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6751571E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7412057E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5808940E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2960079E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">98</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.841176</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.530861</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.643264</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2764137E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2452235E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8470329E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5230349E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2241077E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1049873E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2624682E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2275495E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1658603E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2307895E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2475339E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2325996E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1493429E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6172549E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1222601E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7371459E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2966533E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2664590E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5048702E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2484873E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">99</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.645740</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.000340</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.519472</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1533511E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3809677E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3251387E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1591338E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1187337E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5981664E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1495416E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1263248E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5061384E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1461691E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2258423E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3021430E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7630071E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6062255E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8658376E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6476638E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1541240E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2065518E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7001608E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4202227E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">100</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.248672</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.192589</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.194389</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3050791E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187977E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2033636E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1231717E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2123768E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1250563E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3126408E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2267994E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1641326E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7282592E+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">0.2939514E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2752621E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1868935E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7040469E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1369835E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8302158E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2294848E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2123726E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5139646E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3617738E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">101</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.598926</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.775429</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.475180</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5544797E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6103003E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2320870E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4865315E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3684403E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2165366E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5413415E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1268436E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2565811E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3046165E-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">0.5923910E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6434404E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5104947E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1561586E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2718159E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1831463E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6480686E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7020492E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5745014E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2826033E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">102</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.816523</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.804829</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.811041</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1157660E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8918056E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2546069E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4962816E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6958427E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5777411E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1444353E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2244735E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7066129E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1251582E+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">0.1133001E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8216503E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3113512E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1934163E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4400587E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2825528E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7720806E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5721232E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4395238E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3659628E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">103</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.415119</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.097538</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.922132</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2439907E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3621697E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2172934E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2391817E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1635316E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9304682E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2326171E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1077564E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1520082E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2745895E+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">0.2140109E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1954047E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1860617E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5226562E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1058506E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5638147E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1380030E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1215886E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4937678E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4085526E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">104</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.639040</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.836503</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.541875</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2738565E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2429190E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5652595E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2227998E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7857925E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1043034E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2607586E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2216865E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1643815E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2169322E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2452788E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2297991E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1547971E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6096526E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1209562E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7292078E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2920891E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2617101E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5040276E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2496525E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">105</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.136871</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.569636</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.942417</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1987501E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3074993E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1372278E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2453551E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1246000E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6852065E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1713016E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4565706E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1466574E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1732572E+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">0.1560722E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1408427E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1522946E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3976139E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8343129E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3719524E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6437234E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5561877E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4765764E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5778140E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">106</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.736388</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.931754</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.684638</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1666688E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6638152E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5578220E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2379146E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2699663E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6966369E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1741592E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1577926E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4993025E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3106686E-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">0.2610364E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3479135E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8687715E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6774190E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9518959E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7657917E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1683639E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2262057E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7116524E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4548431E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">107</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.102295</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.909318</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.432697</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2460583E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2762577E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2328925E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1027906E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1073009E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9388552E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2347138E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1079835E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1527840E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2592557E+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">0.2162434E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1977730E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1847040E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5285699E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1068889E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5679654E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1352500E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1195088E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4945041E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4199376E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">108</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.233193</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.717190</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.009300</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8649743E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1009812E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9843878E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1957663E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1112493E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3430965E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8577414E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3572781E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3397834E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1772885E-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">0.1057571E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1257401E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1998300E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2825244E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4514654E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3231821E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9839940E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1185842E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6257942E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3284391E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">109</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.877542</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.103139</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.800308</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1697488E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2471104E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1335574E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7050886E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1955875E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6465051E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1616263E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1514179E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5546928E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5487232E-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">0.2571724E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3527185E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9554612E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6941619E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9719488E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7154082E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1581062E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2135917E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7141959E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4524859E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">110</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.121273</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.949246</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.867392</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1665023E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9036846E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6345030E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4579266E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4520565E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6368344E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1592086E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1478276E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5452807E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6027523E-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">0.2508281E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3424475E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9161944E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6765167E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9508133E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7031310E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1597594E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2162108E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7115137E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4401187E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">111</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.016652</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.589429</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.745700</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1107678E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3751498E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1951970E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3100683E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8057994E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4604818E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1151204E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6511017E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3823165E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3115753E-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">0.1501010E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1850816E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3498059E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3928887E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5981818E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4601286E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1263670E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1602127E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6568049E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3641210E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">112</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.723926</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.449026</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.758132</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1493628E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1731294E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1444310E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1393742E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1016860E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6350416E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1587604E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1279115E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4562631E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1832415E-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">0.2265678E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2943751E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6780738E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5852955E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8402740E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6811381E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1610743E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2142438E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6965532E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4228721E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">113</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.936346</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.691102</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.728726</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1689241E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2748899E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1071768E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2313416E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1027553E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7074831E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1768708E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1627581E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5027861E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3232064E-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">0.2661274E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3553841E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8925667E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6896689E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9665741E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7802533E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1702387E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2290288E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7135189E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4583290E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">114</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.189349</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.100011</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.806382</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2032913E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1291411E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3390842E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1230027E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1994932E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7501492E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1875373E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2217988E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6456495E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5575883E-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">0.3268305E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4661236E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1392932E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8828293E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1193857E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8712365E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1791163E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2477478E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7394765E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4864081E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">115</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.043083</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.186434</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.089396</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2504651E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4280809E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3036243E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3012266E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1811336E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9323705E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2330926E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3480797E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7355350E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2652975E-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">0.4411414E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6491902E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2080488E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1166043E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1516553E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1139625E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2041961E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2835814E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7688772E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5581030E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">116</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.745264</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.013200</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.578108</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1058469E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4915891E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3845132E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2713869E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1419809E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4404608E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1101152E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5900809E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3705409E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3479256E-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">0.1414138E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1727124E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3129857E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3697906E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5680577E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4355226E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1222480E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1536790E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6509737E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3562614E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">117</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.991786</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.216198</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.729426</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8805989E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2888620E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1538232E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1594875E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1853197E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3489418E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8723546E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3703041E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3442101E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1831292E-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">0.1082025E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1291696E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2096706E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2893494E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4607630E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3298315E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9932955E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1201285E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6279787E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3320577E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">118</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.495006</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.150437</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.006344</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2478181E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4006126E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3850002E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6796592E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8744091E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8610580E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2152645E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3200466E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7824725E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4033764E-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">0.4242406E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6332167E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2089761E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1149641E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1498123E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1050898E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1916194E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2671586E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7673879E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5484298E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">119</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.803146</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.185320</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.119002</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2024878E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8080889E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4636591E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3170207E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5809697E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7481842E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1870461E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2202070E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6430863E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5552930E-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">0.3251753E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4633045E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1381292E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8781797E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1188467E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8681048E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1788870E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2473622E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7389181E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4852811E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">120</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.448303</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.594947</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.775143</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5270412E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4191760E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1869825E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4024042E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1158868E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2047350E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5118374E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1117338E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2493611E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3664415E-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">0.5539455E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5960537E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4210812E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1459412E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2564884E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1708746E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6115375E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6538036E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5689971E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2794181E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">121</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.692591</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.731514</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.937622</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1646734E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1180063E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5055093E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6806079E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8208427E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6889566E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1722392E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1539767E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4948352E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2958073E-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">0.2568761E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3415130E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8463693E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6666274E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9389349E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7552162E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1672862E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2245163E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7099825E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4514515E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">122</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.124218</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.821651</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.238276</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1917451E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2075218E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1484075E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1225270E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7763782E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7062944E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1765736E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1934959E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6220631E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5785483E-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">0.3007823E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4249910E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1242087E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8166151E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1116750E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8073808E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1698255E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2331581E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7312422E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4754179E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">123</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.537338</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.847776</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.649036</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1295375E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3440040E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4424222E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2810523E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1933675E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5503095E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1375774E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9329597E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4152716E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2410106E-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">0.1869382E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2362991E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4936084E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4840749E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7146793E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5700024E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1442480E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1877266E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6773317E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3951543E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">124</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.876758</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.978209</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.890499</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1129641E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3741740E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2032066E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6098298E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3082116E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4208188E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1052047E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6135087E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4322671E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2020874E-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">0.1459307E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1866567E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4072599E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4033101E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6116852E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4230674E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1160722E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1478608E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6593426E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3644865E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">125</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.100322</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.795466</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.888701</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1643325E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5112271E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2080110E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4623309E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6583818E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6256969E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1564242E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1411952E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5429854E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5188844E-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">0.2458429E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3352616E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8941869E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6647875E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9367224E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6870207E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1546912E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2082823E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7096954E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4441240E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">126</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.008375</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.494265</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.126837</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2477575E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3116039E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2039120E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2299561E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5135233E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8592340E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2148085E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192984E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7838143E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4557270E-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">0.4238223E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6328361E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2090138E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1149267E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1497702E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1048617E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1912490E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2666498E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7673537E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5482993E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">127</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.391928</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.164356</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.966649</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2554680E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2021167E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5345117E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1150881E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1573177E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9526008E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2381502E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3590209E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7440403E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2616187E-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">0.4540890E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6700279E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2159388E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1197201E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1551492E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1167876E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2028457E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2796687E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7716450E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5757462E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">128</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.465228</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.198988</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.999370</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3282509E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7893720E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3503239E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3606213E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6085504E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1776085E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4440213E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6292885E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6060279E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4789624E-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">0.1524680E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7489573E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5964893E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1672347E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2075367E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1790175E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6129852E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1472853E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8058079E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2920421E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">129</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.121179</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.060392</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.169208</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2514906E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1949802E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5770666E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1445241E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1174733E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9271479E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2317870E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3487682E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7447329E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2769196E-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">0.4422236E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6526603E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2104366E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1172414E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1523704E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1134922E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2036329E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2832144E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7694496E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5573374E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">130</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.882018</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.998843</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.776125</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1025649E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2934589E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1147698E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1672552E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2120654E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4061851E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1015463E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5231238E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3812593E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2868846E-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">0.1322233E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1629003E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3067702E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3545821E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5480685E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3985594E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1133024E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1415341E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6469667E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3517659E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">131</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.977337</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.439980</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.214555</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3284216E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6778212E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1463207E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5233855E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4050919E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1774094E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4435234E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6289596E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6072340E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4736407E-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">0.1531886E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7499005E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5967120E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1673506E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2076630E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1788536E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6122893E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1471498E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8058761E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2921064E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <list cmlx:templateRef="bondPaths">
                     <array dataType="xsd:integer" dictRef="a:bondPath" size="61">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61</array>
                     <array dataType="xsd:integer" dictRef="a:cp" size="61">81 88 122 86 85 115 120 84 75 129 68 83 82 90 121 89 73 76 101 123 99 130 124 126 104 116 106 117 109 48 49 62 55 119 59 47 57 50 67 53 98 118 113 111 125 108 97 112 127 114 110 92 56 70 72 78 93 80 131 128 95</array>
                     <array dataType="xsd:integer" dictRef="x:atomInx1" size="61">1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 13 14 14 14 14 15 16 17 23 28</array>
                     <array dataType="xsd:integer" dictRef="x:atomInx2" size="61">13 24 33 39 41 5 15 23 25 26 34 40 16 21 22 27 35 38 13 18 28 29 39 8 15 20 27 31 40 9 16 25 32 38 16 17 24 32 35 37 13 19 20 22 29 33 15 18 30 31 34 36 17 23 28 36 36 36 43 42 44</array>
                     <array dataType="xsd:double" dictRef="a:distance" size="61">2.373199 1.928112 1.802549 1.875004 1.709267 1.699535 2.345137 1.890491 1.938092 1.698186 2.002785 2.080091 2.627688 1.705080 1.848164 2.020200 1.854345 2.103837 2.323123 1.941666 1.893803 2.054487 2.018595 1.705476 2.630201 2.026497 1.843585 2.109954 1.851205 1.719972 2.311799 1.911629 1.877045 1.806991 2.350068 1.892379 1.926535 2.018121 2.072738 1.698823 2.624649 1.705326 1.838322 2.008444 1.864370 2.117196 2.308537 1.909082 1.719634 1.805601 1.883798 1.753980 3.081398 3.086683 3.055575 1.635181 1.763371 1.760443 0.983418 0.983491 0.983599</array>
                     <array dataType="xsd:double" dictRef="a:length" size="61">2.375344 1.928424 1.802927 1.875647 1.709317 1.699581 2.346695 1.891690 1.938440 1.698242 2.003999 2.080954 2.629055 1.705090 1.848745 2.020598 1.855059 2.105112 2.324709 1.942002 1.894931 2.055352 2.019586 1.705487 2.631529 2.026886 1.844149 2.111236 1.851914 1.720003 2.313736 1.911900 1.877604 1.807310 2.351628 1.893562 1.926888 2.019186 2.073606 1.698871 2.626035 1.705335 1.838898 2.008934 1.865086 2.118388 2.310445 1.909346 1.719664 1.805917 1.884354 1.754034 3.097491 3.100942 3.072194 1.635189 1.763429 1.760508 0.983687 0.983759 0.983873</array>
                     <array dataType="xsd:double" dictRef="a:steps" size="61">30 26 25 25 24 22 27 26 26 25 26 28 33 22 23 27 26 29 28 24 25 27 24 21 29 25 22 25 24 23 30 29 26 25 30 26 26 26 30 24 29 20 22 25 25 25 28 25 22 24 24 24 34 35 35 22 24 25 20 20 21</array>
                  </list>
               </module>
               <module cmlx:templateRef="mulliken" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="44">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="44">Mo O Mo Mo Mo Mo W O O Mo Mo W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="44">2.4274 -0.5879 2.4464 2.3817 2.4290 2.3844 2.5427 -0.6198 -0.7010 2.4396 2.3741 2.5458 -1.0934 -0.8097 -1.1043 -1.1049 -0.6283 -0.9516 -0.6185 -0.8874 -0.6182 -0.8926 -0.6258 -0.9244 -0.9532 -0.5850 -0.8898 -0.6243 -0.8769 -0.6994 -0.8671 -0.8999 -0.8395 -0.8996 -0.8750 2.1142 -0.5891 -0.8686 -0.8668 -0.8752 -0.6176 0.3037 0.3039 0.3017</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="44">1.8957 1.9976 1.9617 1.9349 1.9536 1.9332 2.0722 1.9945 1.9807 1.9578 1.9234 2.0715 1.9317 1.9750 1.9281 1.9284 1.8901 1.9353 1.9944 1.9497 1.9947 1.9491 1.8898 1.9405 1.9351 1.9984 1.9488 1.8905 1.9590 1.9809 1.9623 1.9537 1.9693 1.9536 1.9579 0.8820 1.9980 1.9619 1.9581 1.9579 1.9930 0.5988 0.5983 0.6003</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="44">6.0750 4.5501 6.0525 6.0617 6.0654 6.0606 6.0834 4.5870 4.6803 6.0558 6.0722 6.0827 5.1301 4.7980 5.1443 5.1446 4.7066 4.9902 4.5857 4.9086 4.5850 4.9148 4.7045 4.9601 4.9920 4.5462 4.9123 4.7018 4.8883 4.6784 4.8664 4.9125 4.8347 4.9122 4.8874 1.4342 4.5508 4.8682 4.8774 4.8876 4.5869 0.0974 0.0977 0.0980</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="44">3.6019 0.0402 3.5394 3.6216 3.5520 3.6217 3.2744 0.0383 0.0400 3.5468 3.6303 3.2727 0.0317 0.0366 0.0319 0.0319 0.0317 0.0261 0.0385 0.0291 0.0384 0.0287 0.0315 0.0237 0.0260 0.0404 0.0287 0.0319 0.0295 0.0401 0.0385 0.0337 0.0356 0.0338 0.0297 10.5695 0.0403 0.0385 0.0313 0.0297 0.0377 0.0000 0.0000 0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="44">0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14.0273 0.0000 0.0000 0.0000 0.0000 14.0273 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="atomic.charges" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="44">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="44">Mo O Mo Mo Mo Mo W O O Mo Mo W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O H H H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="44">3.141495 -0.838519 3.196742 3.169675 3.197503 3.167753 2.493218 -0.878600 -0.717538 3.194005 3.169292 2.493926 -1.222504 -0.928468 -1.177588 -1.176392 -0.627032 -1.059200 -0.876012 -1.146252 -0.876772 -1.151283 -0.624376 -1.187755 -1.060709 -0.836495 -1.148816 -0.625081 -1.114772 -0.715557 -0.924586 -0.978849 -1.080881 -0.981362 -1.113050 2.267633 -0.839579 -0.927333 -1.110685 -1.113304 -0.881690 0.151201 0.149628 0.148972</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="44">2.372174 -0.555774 2.348428 2.390850 2.353170 2.389683 1.976943 -0.600291 -0.569964 2.354364 2.395931 1.978111 -0.972378 -0.767834 -0.902844 -0.904657 -0.756934 -0.782893 -0.591066 -0.894412 -0.598396 -0.896941 -0.751913 -0.909910 -0.783967 -0.558963 -0.897782 -0.755208 -0.875040 -0.567495 -0.755058 -0.772451 -0.839175 -0.772632 -0.874918 1.699407 -0.559982 -0.756893 -0.874672 -0.877463 -0.606986 0.441936 0.442261 0.441636</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="44">2.413980 -0.554532 2.572632 2.458022 2.568085 2.456772 2.086200 -0.567100 -0.562119 2.578379 2.457559 2.090699 -0.976492 -0.774313 -0.927581 -0.924659 -0.697027 -0.941234 -0.552284 -0.967080 -0.565314 -0.969945 -0.681123 -1.075078 -0.942223 -0.570425 -0.971036 -0.681777 -0.953207 -0.558649 -0.781631 -0.859244 -0.844562 -0.868308 -0.935279 1.707869 -0.566675 -0.783589 -0.955210 -0.937944 -0.572474 0.377385 0.379155 0.371378</array>
                  </list>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">-7.08405019 -8.04042803 -6.38765837</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">12.47535288</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-2.75097087 1.93009586 2.55110041 0.40368996 -2.91256891 2.34728091</array>
               </module>
               <module cmlx:templateRef="bonding.energy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-278.7390</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">312.8615</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">-116.5834</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-253.9283</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-1.7000</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-338.0891</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:31  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:33  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:35  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:37  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Arsenic (TZP, 3p frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:40  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:43  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">Jun11-2024 08:29:46  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:49  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">Jun11-2024 08:29:53  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun11-2024 08:29:54  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">Jun11-2024 08:29:58  Nodes: 1  Procs: 5</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">*** (NO TITLE) ***</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.80512681</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-12.20646556</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.98237337</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-12.35200669</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-12.38893371</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-12.39574979</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-12.40443295</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-12.41036233</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-12.41366934</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-12.41522836</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-12.42013223</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-12.42101885</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-12.42152897</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-12.42197394</scalar>
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      </module>
   </module>
</module>
