<?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">Jun20-2024 08:26:52</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">0.77</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.04</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">1.49</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">Jun20-2024 08:26:52  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:54  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">Jun20-2024 08:26:56</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">1.50</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.06</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">1.99</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">Jun20-2024 08:26:52  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:54  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:56  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:58  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">Jun20-2024 08:27:01</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="1705" startLine="1703">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="1708" startLine="1707">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="1716" startLine="1710">
                     <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">0.08</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">3.28</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 3.000 0.000 0.000 14.000 0.000 0.000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="16"
                            units="nonsi:electronvolt">-72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274</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 3.00 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">-72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951</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">Ta</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">3.0000</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">Jun20-2024 08:26:52  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:54  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:56  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:58  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">Jun20-2024 08:27:01  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:27:03  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Tantalum (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">Jun20-2024 08:27:07</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="2803" startLine="2801">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="2806" startLine="2805">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="2814" startLine="2808">
                     <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">0.08</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">3.18</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">Jun20-2024 08:26:52  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:54  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:56  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:58  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">Jun20-2024 08:27:01  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:27:03  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Tantalum (TZP, 4d frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:27:07  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:27:09  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">Jun20-2024 08:27:13</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</scalar>
               </parameter>
               <parameter dictRef="cc:nodeName">
                  <array dataType="xsd:string" size="5">c2-1 c2-1 c2-1 c2-1 c2-1</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="3905" startLine="3903">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="3908" startLine="3907">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="3916" startLine="3910">
                     <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">1.44</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">Jun20-2024 08:26:52  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:54  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:56  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:58  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">Jun20-2024 08:27:01  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:27:03  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Tantalum (TZP, 4d frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:27:07  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:27:09  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">Jun20-2024 08:27:13  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:27:14  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">Jun20-2024 08:27:17</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>
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                        id="a1"
                        x3="0.1190"
                        y3="-2.5246"
                        z3="2.5246"/>
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                        x3="3.9276"
                        y3="-3.9276"
                        z3="-0.2598"/>
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                        id="a3"
                        x3="0.1190"
                        y3="2.5246"
                        z3="-2.5246"/>
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                        id="a4"
                        x3="-0.1190"
                        y3="2.5246"
                        z3="2.5246"/>
                  <atom elementType="Ta"
                        id="a5"
                        x3="2.5246"
                        y3="-2.5246"
                        z3="0.1190"/>
                  <atom elementType="Ta"
                        id="a6"
                        x3="2.5246"
                        y3="2.5246"
                        z3="-0.1190"/>
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                        x3="-2.5246"
                        y3="2.5246"
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                        id="a9"
                        x3="-3.9276"
                        y3="3.9276"
                        z3="-0.2598"/>
                  <atom elementType="Ta"
                        id="a10"
                        x3="-2.5246"
                        y3="0.1190"
                        z3="2.5246"/>
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                        id="a11"
                        x3="2.5246"
                        y3="-0.1190"
                        z3="2.5246"/>
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                        id="a12"
                        x3="2.5246"
                        y3="0.1190"
                        z3="-2.5246"/>
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                        id="a13"
                        x3="1.0161"
                        y3="-1.0161"
                        z3="1.0161"/>
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                        id="a14"
                        x3="-1.0161"
                        y3="-1.0161"
                        z3="-1.0161"/>
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                        id="a15"
                        x3="1.0161"
                        y3="1.0161"
                        z3="-1.0161"/>
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                        id="a16"
                        x3="-1.0161"
                        y3="1.0161"
                        z3="1.0161"/>
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                        id="a17"
                        x3="-3.0017"
                        y3="-1.1468"
                        z3="1.1468"/>
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                        id="a18"
                        x3="3.0017"
                        y3="-1.1468"
                        z3="-1.1468"/>
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                        id="a19"
                        x3="3.9276"
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                        id="a20"
                        x3="3.0017"
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                        id="a21"
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                        id="a22"
                        x3="1.1468"
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                        z3="3.0017"/>
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                        id="a23"
                        x3="-1.1468"
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                        z3="-3.0017"/>
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                        id="a24"
                        x3="-1.1468"
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                        z3="3.0017"/>
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                        id="a25"
                        x3="-1.1468"
                        y3="3.0017"
                        z3="-1.1468"/>
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                        id="a26"
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                        z3="-3.9276"/>
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                        x3="1.1468"
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                        id="a28"
                        x3="1.1468"
                        y3="-3.0017"
                        z3="-1.1468"/>
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                        y3="-0.2598"
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                        x3="-3.4220"
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                  <atom elementType="O"
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                        x3="1.5167"
                        y3="-3.4220"
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                        id="a40"
                        x3="1.5167"
                        y3="3.4220"
                        z3="-1.5167"/>
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                        id="a41"
                        x3="-0.2598"
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                        z3="3.9276"/>
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                        x3="-1.7884"
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                        z3="-3.6087"/>
                  <atom elementType="H"
                        id="a43"
                        x3="-3.5622"
                        y3="-1.8214"
                        z3="1.6059"/>
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                        id="a44"
                        x3="1.2634"
                        y3="-3.9739"
                        z3="-1.2923"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <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 a16" order="S"/>
                  <bond atomRefs2="a4 a27" order="S"/>
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                  <bond atomRefs2="a5 a13" order="S"/>
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                  <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 a15" 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 a16" order="S"/>
                  <bond atomRefs2="a10 a35" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
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                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a22" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
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                  <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="H3AsO31Ta6W3"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2208.110399999999</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;;;+1/p-3/rAsH3O31Ta6W3/c2-1-15-36(8)21-37(9)19-34(4,5,31(1)37)16-33(3)17-35(6,7,20-38(10,18-33,22-36,23-37)32(1,33)35)25-40(12,26-36)30-41(13,14,28-36)29-39(11,24-34)27-37/h4,6,13H">
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               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="4786" startLine="4784">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="4790" startLine="4788">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="4799" startLine="4792">
                     <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="Ta" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.Ta</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019.304</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Jun20-2024 08:27:03</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">Tantalum</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">4d</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="O" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.O</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019.304</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Jun20-2024 08:27:14</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">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">Jun20-2024 08:27:09</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">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">Jun20-2024 08:26:58</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">Jun20-2024 08:26:54</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">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">-13.43748439</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.28437777</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">0.09773571</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">0.28437777</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09773571</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.15864331</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">0.04532282</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="Ta"
                                 id="a1"
                                 x3="0.175786"
                                 y3="-2.527691"
                                 z3="2.591335"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.844999"
                                 y3="-3.873072"
                                 z3="-0.279972"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.114897"
                                 y3="2.513141"
                                 z3="-2.527127"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.116894"
                                 y3="2.534664"
                                 z3="2.572989"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.528733"
                                 y3="-2.54866"
                                 z3="0.120456"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.532296"
                                 y3="2.56879"
                                 z3="-0.112791"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.501105"
                                 y3="2.581987"
                                 z3="0.170608"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.845276"
                                 y3="3.915851"
                                 z3="0.207956"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.768957"
                                 y3="3.874896"
                                 z3="-0.221879"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.547703"
                                 y3="0.121064"
                                 z3="2.525621"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.572675"
                                 y3="-0.125834"
                                 z3="2.539032"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.577125"
                                 y3="0.16977"
                                 z3="-2.501859"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.016851"
                                 y3="-1.01343"
                                 z3="1.025819"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.991973"
                                 y3="-0.96002"
                                 z3="-1.021464"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.022955"
                                 y3="1.014536"
                                 z3="-0.998393"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.005506"
                                 y3="1.023051"
                                 z3="1.019227"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.066889"
                                 y3="-1.122783"
                                 z3="1.079043"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.978963"
                                 y3="-1.101587"
                                 z3="-1.181864"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.919568"
                                 y3="0.236239"
                                 z3="3.854144"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.032174"
                                 y3="1.171284"
                                 z3="1.138093"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.226085"
                                 y3="3.860479"
                                 z3="3.908899"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.163234"
                                 y3="1.146971"
                                 z3="3.033602"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.110704"
                                 y3="1.094934"
                                 z3="-3.013347"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.132715"
                                 y3="-1.158942"
                                 z3="2.997565"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.149328"
                                 y3="2.975851"
                                 z3="-1.125253"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.273462"
                                 y3="3.782569"
                                 z3="-3.821291"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.14571"
                                 y3="3.035112"
                                 z3="1.162894"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.102427"
                                 y3="-3.028876"
                                 z3="-1.163218"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.469165"
                                 y3="-1.534496"
                                 z3="1.49978"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.860821"
                                 y3="-0.193375"
                                 z3="-3.784966"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.453247"
                                 y3="1.538643"
                                 z3="-1.56521"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.430389"
                                 y3="1.573088"
                                 z3="1.471347"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.566191"
                                 y3="-1.553831"
                                 z3="3.477716"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.524143"
                                 y3="1.496493"
                                 z3="-3.415146"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.541744"
                                 y3="1.518026"
                                 z3="3.457768"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.0217"
                                 y3="-0.032212"
                                 z3="-0.009001"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.88822"
                                 y3="-0.248246"
                                 z3="3.831018"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.556503"
                                 y3="3.465177"
                                 z3="1.525107"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.517893"
                                 y3="-3.460804"
                                 z3="1.541316"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.469227"
                                 y3="3.440326"
                                 z3="-1.552204"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.204977"
                                 y3="-3.836848"
                                 z3="3.911784"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.777092"
                                 y3="1.491732"
                                 z3="-3.617847"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.622015"
                                 y3="-1.813265"
                                 z3="1.494336"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.180933"
                                 y3="-3.992003"
                                 z3="-1.319022"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <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 a16" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a13" 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 a15" 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 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a13" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;;;+1/p-3/rAsH3O31Ta6W3/c2-1-15-36(8)21-37(9)19-34(4,5,31(1)37)16-33(3)17-35(6,7,20-38(10,18-33,22-36,23-37)32(1,33)35)25-40(12,26-36)30-41(13,14,28-36)29-39(11,24-34)27-37/h4,6,13H">
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                  <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">-13.73451428</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.20308869</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">0.06405853</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">0.20308869</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06405853</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.28272424</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                                 y3="-2.508728"
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                                 y3="-0.119948"
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                           <bond atomRefs2="a10 a17" order="S"/>
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                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">3</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.73628260</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.33837237</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">
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                        <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">0.33837237</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.11025052</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.29962671</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="csteprms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                  <module cmlx:templateRef="convergence">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">4</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
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                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:current">0.06594193</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">
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                     <list cmlx:templateRef="gradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.2619,-2.5122,2.7034;3.7483,-3.8821,-.3202;.1022,2.4771,-2.5438;-.0892,2.5251,2.6521;2.5028,-2.5965,.1218;2.5206,2.6265,-.0726;-2.4592,2.68,.2712;3.7669,3.9625,.1937;-3.7176,3.9843,-.2128;-2.5683,.0988,2.51;2.6389,-.12,2.5432;2.6718,.2612,-2.4634;1.0005,-.9982,1.0355;-1.0059,-.9712,-1.0233;1.0309,1.0002,-.9694;-.9781,1.0313,1.0124;-3.1508,-1.0978,.9993;2.9019,-1.0726,-1.2054;3.9635,.2297,3.78;3.0772,1.2083,1.132;.2232,3.7893,3.9613;1.2013,1.144,3.0816;-1.0903,1.0172,-3.0689;-1.1252,-1.1747,2.956;-1.1541,2.8952,-1.1062;-.3543,3.7241,-3.8577;1.1403,3.0915,1.2011;1.0419,-3.0823,-1.181;3.5042,-1.5589,1.4635;3.9885,-.1416,-3.7415;3.5269,1.6227,-1.5834;-3.4699,1.6022,1.4102;1.6586,-1.569,3.5648;1.526,1.4508,-3.4526;-1.5717,1.5011,3.4883;-.0464,-.0655,-.022;-3.882,-.2908,3.7438;-1.5617,3.5592,1.5992;1.4862,-3.5265,1.5595;1.4133,3.4509,-1.5899;-.1561,-3.7696,3.9915;-1.777,1.3695,-3.6733;-3.7021,-1.8099,1.378;1.0956,-4.0448,-1.3407;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">5</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">5</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.83384208</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.17683656</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">0.04690086</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">0.17683656</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04690086</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.13753045</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">0.03325948</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="Ta"
                                 id="a1"
                                 x3="0.277362"
                                 y3="-2.507659"
                                 z3="2.725252"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.69804"
                                 y3="-3.836745"
                                 z3="-0.3097"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.103517"
                                 y3="2.482241"
                                 z3="-2.550961"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.07802"
                                 y3="2.530652"
                                 z3="2.664904"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.503551"
                                 y3="-2.605778"
                                 z3="0.118736"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.523265"
                                 y3="2.640454"
                                 z3="-0.060013"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.450102"
                                 y3="2.707548"
                                 z3="0.287318"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.717186"
                                 y3="3.925097"
                                 z3="0.185814"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.580052"
                                 y3="3.869793"
                                 z3="-0.172413"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.575411"
                                 y3="0.09841"
                                 z3="2.511563"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.650763"
                                 y3="-0.109372"
                                 z3="2.544679"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.694551"
                                 y3="0.287504"
                                 z3="-2.461566"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.990128"
                                 y3="-0.990896"
                                 z3="1.026181"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.001496"
                                 y3="-0.963243"
                                 z3="-1.018489"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.031531"
                                 y3="1.001354"
                                 z3="-0.972003"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.975201"
                                 y3="1.034437"
                                 z3="1.003358"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.178872"
                                 y3="-1.101284"
                                 z3="0.993312"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.883186"
                                 y3="-1.045259"
                                 z3="-1.228589"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.930157"
                                 y3="0.229046"
                                 z3="3.733075"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.089933"
                                 y3="1.225635"
                                 z3="1.131346"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.218278"
                                 y3="3.744917"
                                 z3="3.927226"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.207477"
                                 y3="1.156739"
                                 z3="3.093958"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.090443"
                                 y3="1.018971"
                                 z3="-3.087091"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.125046"
                                 y3="-1.175651"
                                 z3="2.942943"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.155543"
                                 y3="2.878628"
                                 z3="-1.101965"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.315373"
                                 y3="3.593588"
                                 z3="-3.729521"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.150535"
                                 y3="3.11068"
                                 z3="1.205508"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.041195"
                                 y3="-3.105791"
                                 z3="-1.200382"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.508838"
                                 y3="-1.558998"
                                 z3="1.456675"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.86852"
                                 y3="-0.08497"
                                 z3="-3.609848"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.548667"
                                 y3="1.620003"
                                 z3="-1.605652"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.468323"
                                 y3="1.632659"
                                 z3="1.387575"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.665439"
                                 y3="-1.573752"
                                 z3="3.586487"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.534949"
                                 y3="1.453857"
                                 z3="-3.455469"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.574694"
                                 y3="1.506152"
                                 z3="3.490628"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.056195"
                                 y3="-0.07176"
                                 z3="-0.033978"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.833471"
                                 y3="-0.273936"
                                 z3="3.694636"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.580427"
                                 y3="3.587722"
                                 z3="1.584102"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.487281"
                                 y3="-3.532715"
                                 z3="1.563585"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.397789"
                                 y3="3.45477"
                                 z3="-1.607829"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.136917"
                                 y3="-3.71716"
                                 z3="3.95495"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.779033"
                                 y3="1.362765"
                                 z3="-3.690489"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.731915"
                                 y3="-1.812797"
                                 z3="1.367627"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.097898"
                                 y3="-4.067157"
                                 z3="-1.35988"/>
                        </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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.2774,-2.5077,2.7253;3.698,-3.8367,-.3097;.1035,2.4822,-2.551;-.078,2.5307,2.6649;2.5036,-2.6058,.1187;2.5233,2.6405,-.06;-2.4501,2.7075,.2873;3.7172,3.9251,.1858;-3.5801,3.8698,-.1724;-2.5754,.0984,2.5116;2.6508,-.1094,2.5447;2.6946,.2875,-2.4616;.9901,-.9909,1.0262;-1.0015,-.9632,-1.0185;1.0315,1.0014,-.972;-.9752,1.0344,1.0034;-3.1789,-1.1013,.9933;2.8832,-1.0453,-1.2286;3.9302,.229,3.7331;3.0899,1.2256,1.1313;.2183,3.7449,3.9272;1.2075,1.1567,3.094;-1.0904,1.019,-3.0871;-1.125,-1.1757,2.9429;-1.1555,2.8786,-1.102;-.3154,3.5936,-3.7295;1.1505,3.1107,1.2055;1.0412,-3.1058,-1.2004;3.5088,-1.559,1.4567;3.8685,-.085,-3.6098;3.5487,1.62,-1.6057;-3.4683,1.6327,1.3876;1.6654,-1.5738,3.5865;1.5349,1.4539,-3.4555;-1.5747,1.5062,3.4906;-.0562,-.0718,-.034;-3.8335,-.2739,3.6946;-1.5804,3.5877,1.5841;1.4873,-3.5327,1.5636;1.3978,3.4548,-1.6078;-.1369,-3.7172,3.955;-1.779,1.3628,-3.6905;-3.7319,-1.8128,1.3676;1.0979,-4.0672,-1.3599;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">6</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">6</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.88163469</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09454571</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">0.02978020</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">0.09454571</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02978020</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08706950</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">0.02388695</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="Ta"
                                 id="a1"
                                 x3="0.306273"
                                 y3="-2.491019"
                                 z3="2.755301"/>
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                                 x3="3.678396"
                                 y3="-3.869993"
                                 z3="-0.334661"/>
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                                 x3="0.092156"
                                 y3="2.455297"
                                 z3="-2.555735"/>
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                                 x3="-0.069625"
                                 y3="2.521593"
                                 z3="2.695392"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.483269"
                                 y3="-2.617935"
                                 z3="0.114882"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.51131"
                                 y3="2.662201"
                                 z3="-0.046324"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.423927"
                                 y3="2.735287"
                                 z3="0.320416"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.710838"
                                 y3="3.973154"
                                 z3="0.184923"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.595212"
                                 y3="3.946044"
                                 z3="-0.185634"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.577807"
                                 y3="0.086898"
                                 z3="2.492737"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.676388"
                                 y3="-0.110234"
                                 z3="2.541882"/>
                           <atom elementType="W"
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                                 x3="2.718432"
                                 y3="0.31281"
                                 z3="-2.43689"/>
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                                 x3="0.989562"
                                 y3="-0.981569"
                                 z3="1.033932"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.003094"
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                                 z3="-1.016572"/>
                           <atom elementType="O"
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                                 x3="1.036962"
                                 y3="0.998907"
                                 z3="-0.956645"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.961376"
                                 y3="1.042512"
                                 z3="1.003927"/>
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                                 x3="-3.186876"
                                 y3="-1.091525"
                                 z3="0.958228"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.852459"
                                 y3="-1.049756"
                                 z3="-1.221596"/>
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                                 id="a19"
                                 x3="3.979255"
                                 y3="0.224151"
                                 z3="3.730183"/>
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                                 id="a20"
                                 x3="3.106509"
                                 y3="1.233888"
                                 z3="1.128859"/>
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                                 x3="0.22011"
                                 y3="3.743221"
                                 z3="3.977719"/>
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                                 id="a22"
                                 x3="1.224753"
                                 y3="1.147338"
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                                 x3="-1.093803"
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                                 x3="-1.122158"
                                 y3="-1.180203"
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                                 x3="-1.155643"
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                                 x3="-0.367036"
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                                 z3="-3.797919"/>
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                                 x3="1.135703"
                                 y3="3.133055"
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                                 x3="1.016096"
                                 y3="-3.101022"
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                                 x3="1.703729"
                                 y3="-1.567541"
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                                 x3="1.518601"
                                 y3="1.408597"
                                 z3="-3.470697"/>
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                                 x3="-1.593586"
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                                 z3="-0.028796"/>
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                                 id="a38"
                                 x3="-1.558728"
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                                 id="a39"
                                 x3="1.451583"
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                                 y3="3.449527"
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                           <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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3063,-2.491,2.7553;3.6784,-3.87,-.3347;.0922,2.4553,-2.5557;-.0696,2.5216,2.6954;2.4833,-2.6179,.1149;2.5113,2.6622,-.0463;-2.4239,2.7353,.3204;3.7108,3.9732,.1849;-3.5952,3.946,-.1856;-2.5778,.0869,2.4927;2.6764,-.1102,2.5419;2.7184,.3128,-2.4369;.9896,-.9816,1.0339;-1.0031,-.9649,-1.0166;1.037,.9989,-.9566;-.9614,1.0425,1.0039;-3.1869,-1.0915,.9582;2.8525,-1.0498,-1.2216;3.9793,.2242,3.7302;3.1065,1.2339,1.1289;.2201,3.7432,3.9777;1.2248,1.1473,3.1137;-1.0938,.9776,-3.086;-1.1222,-1.1802,2.9218;-1.1556,2.8433,-1.0981;-.367,3.6027,-3.7979;1.1357,3.1331,1.2207;1.0161,-3.101,-1.2075;3.5126,-1.5696,1.4411;3.9556,-.0871,-3.6226;3.562,1.6621,-1.5884;-3.4821,1.6169,1.3491;1.7037,-1.5675,3.6047;1.5186,1.4086,-3.4707;-1.5936,1.5023,3.4906;-.0536,-.07,-.0288;-3.861,-.3021,3.6754;-1.5587,3.6109,1.6285;1.4516,-3.5506,1.5559;1.3898,3.4495,-1.6209;-.129,-3.7086,3.9979;-1.7896,1.3115,-3.6868;-3.7405,-1.8077,1.3224;1.0659,-4.0617,-1.3727;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">7</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">7</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.90461638</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05914613</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">0.01418741</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">0.05914613</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01418741</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05394280</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">0.01966138</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="Ta"
                                 id="a1"
                                 x3="0.337487"
                                 y3="-2.468972"
                                 z3="2.785328"/>
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                                 id="a2"
                                 x3="3.655318"
                                 y3="-3.889658"
                                 z3="-0.345612"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.08337"
                                 y3="2.43687"
                                 z3="-2.562281"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.055269"
                                 y3="2.509122"
                                 z3="2.727213"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.466563"
                                 y3="-2.631535"
                                 z3="0.110659"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.496228"
                                 y3="2.684946"
                                 z3="-0.024756"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.393124"
                                 y3="2.761344"
                                 z3="0.350205"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.690989"
                                 y3="4.005791"
                                 z3="0.186955"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.559135"
                                 y3="3.962756"
                                 z3="-0.196359"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.581123"
                                 y3="0.074537"
                                 z3="2.477309"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.704348"
                                 y3="-0.10356"
                                 z3="2.536204"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.739385"
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                                 z3="-2.412207"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.986115"
                                 y3="-0.968924"
                                 z3="1.034332"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.008467"
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                                 z3="-1.015443"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.038002"
                                 y3="0.998848"
                                 z3="-0.94491"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.947594"
                                 y3="1.047703"
                                 z3="0.999794"/>
                           <atom elementType="O"
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                                 x3="-3.211039"
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                                 z3="0.938902"/>
                           <atom elementType="O"
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                                 x3="2.816708"
                                 y3="-1.04511"
                                 z3="-1.221794"/>
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                                 x3="4.01873"
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                                 z3="3.712685"/>
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                                 id="a20"
                                 x3="3.124933"
                                 y3="1.248343"
                                 z3="1.125498"/>
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                                 id="a21"
                                 x3="0.224408"
                                 y3="3.728134"
                                 z3="4.015217"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.24439"
                                 y3="1.142252"
                                 z3="3.135458"/>
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                                 id="a23"
                                 x3="-1.10616"
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                                 z3="-3.097095"/>
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                                 id="a24"
                                 x3="-1.119631"
                                 y3="-1.184227"
                                 z3="2.896145"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.153749"
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                                 z3="-1.09382"/>
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                                 id="a26"
                                 x3="-0.388834"
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                                 x3="1.120216"
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                                 x3="1.008747"
                                 y3="-3.108084"
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                                 id="a29"
                                 x3="3.512083"
                                 y3="-1.576464"
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                                 x3="3.981041"
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                                 x3="3.577009"
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                                 z3="-1.573688"/>
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                                 x3="-3.486725"
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                                 id="a33"
                                 x3="1.741863"
                                 y3="-1.557039"
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                                 id="a34"
                                 x3="1.501854"
                                 y3="1.360376"
                                 z3="-3.480029"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.614135"
                                 y3="1.505842"
                                 z3="3.482806"/>
                           <atom elementType="As"
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                                 x3="-0.056924"
                                 y3="-0.072007"
                                 z3="-0.032126"/>
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                                 id="a37"
                                 x3="-3.873123"
                                 y3="-0.31679"
                                 z3="3.652476"/>
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                                 id="a38"
                                 x3="-1.540871"
                                 y3="3.637676"
                                 z3="1.663961"/>
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                                 y3="-3.562781"
                                 z3="1.545738"/>
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                                 y3="3.439396"
                                 z3="-1.641786"/>
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                                 x3="-0.124081"
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                                 x3="-1.806476"
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                                 z3="-3.691848"/>
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                                 x3="-3.768285"
                                 y3="-1.805788"
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                           <atom elementType="H"
                                 id="a44"
                                 x3="1.062415"
                                 y3="-4.068034"
                                 z3="-1.398743"/>
                        </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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3375,-2.469,2.7853;3.6553,-3.8897,-.3456;.0834,2.4369,-2.5623;-.0553,2.5091,2.7272;2.4666,-2.6315,.1107;2.4962,2.6849,-.0248;-2.3931,2.7613,.3502;3.691,4.0058,.187;-3.5591,3.9628,-.1964;-2.5811,.0745,2.4773;2.7043,-.1036,2.5362;2.7394,.3406,-2.4122;.9861,-.9689,1.0343;-1.0085,-.9709,-1.0154;1.038,.9988,-.9449;-.9476,1.0477,.9998;-3.211,-1.0912,.9389;2.8167,-1.0451,-1.2218;4.0187,.2251,3.7127;3.1249,1.2483,1.1255;.2244,3.7281,4.0152;1.2444,1.1423,3.1355;-1.1062,.9596,-3.0971;-1.1196,-1.1842,2.8961;-1.1537,2.8071,-1.0938;-.3888,3.571,-3.8097;1.1202,3.1603,1.2354;1.0087,-3.1081,-1.2286;3.5121,-1.5765,1.4255;3.981,-.0804,-3.5887;3.577,1.6977,-1.5737;-3.4867,1.6062,1.2952;1.7419,-1.557,3.6262;1.5019,1.3604,-3.48;-1.6141,1.5058,3.4828;-.0569,-.072,-.0321;-3.8731,-.3168,3.6525;-1.5409,3.6377,1.664;1.4109,-3.5628,1.5457;1.3851,3.4394,-1.6418;-.1241,-3.6864,4.0245;-1.8065,1.2949,-3.6918;-3.7683,-1.8058,1.3015;1.0624,-4.068,-1.3987;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">8</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">8</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.91420142</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04839158</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">0.01193351</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">0.04839158</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01193351</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08292356</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">0.02950803</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 id="a1"
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                                 y3="-2.433389"
                                 z3="2.81947"/>
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                                 y3="-3.911813"
                                 z3="-0.323822"/>
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                                 z3="-2.571451"/>
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                                 z3="2.769331"/>
                           <atom elementType="Ta"
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                                 y3="-2.653858"
                                 z3="0.108783"/>
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                                 y3="3.947358"
                                 z3="-0.239463"/>
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                                 y3="0.053234"
                                 z3="2.469702"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.742903"
                                 y3="-0.08592"
                                 z3="2.523021"/>
                           <atom elementType="W"
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                                 y3="0.370365"
                                 z3="-2.381454"/>
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                                 y3="-0.951726"
                                 z3="1.023516"/>
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                                 y3="-0.991882"
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                                 y3="0.999686"
                                 z3="-0.93499"/>
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                                 z3="0.986763"/>
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                                 y3="-1.110626"
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                                 y3="-1.039581"
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                                 y3="0.235631"
                                 z3="3.680604"/>
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                                 y3="1.271073"
                                 z3="1.123291"/>
                           <atom elementType="O"
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                                 x3="0.238465"
                                 y3="3.696404"
                                 z3="4.057359"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.27416"
                                 y3="1.135834"
                                 z3="3.163511"/>
                           <atom elementType="O"
                                 id="a23"
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                                 z3="-3.133719"/>
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                                 id="a24"
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                                 y3="-1.1907"
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                                 id="a25"
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                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.385283"
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                                 z3="-3.812675"/>
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                                 id="a27"
                                 x3="1.090714"
                                 y3="3.197886"
                                 z3="1.254734"/>
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                                 id="a28"
                                 x3="1.046067"
                                 y3="-3.139662"
                                 z3="-1.279958"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.498239"
                                 y3="-1.580379"
                                 z3="1.410786"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.98261"
                                 y3="-0.092902"
                                 z3="-3.54629"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.596018"
                                 y3="1.734767"
                                 z3="-1.549268"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.471872"
                                 y3="1.582169"
                                 z3="1.212276"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.78884"
                                 y3="-1.53533"
                                 z3="3.655092"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.474153"
                                 y3="1.28865"
                                 z3="-3.475973"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.641604"
                                 y3="1.523974"
                                 z3="3.457411"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.071279"
                                 y3="-0.082646"
                                 z3="-0.051423"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.872589"
                                 y3="-0.315408"
                                 z3="3.651076"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.522407"
                                 y3="3.671609"
                                 z3="1.704495"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.345905"
                                 y3="-3.560323"
                                 z3="1.525179"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.399486"
                                 y3="3.414781"
                                 z3="-1.674553"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.137574"
                                 y3="-3.653247"
                                 z3="4.036899"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.843378"
                                 y3="1.345973"
                                 z3="-3.711051"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.840036"
                                 y3="-1.80783"
                                 z3="1.343856"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.129568"
                                 y3="-4.097626"
                                 z3="-1.453361"/>
                        </atomArray>
                        <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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                  <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">-13.92416364</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02856405</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">0.00711469</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">0.02856405</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00711469</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07852722</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:current">0.01861211</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                                 y3="-0.078209"
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                           <bond atomRefs2="a6 a20" order="S"/>
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                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
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                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
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                           <bond atomRefs2="a23 a42" order="S"/>
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                        </bondArray>
                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">10</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.92782739</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02164709</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">0.00576772</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">0.02164709</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00576772</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04199236</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
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                           <atom elementType="Ta"
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                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
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                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3677,-2.4369,2.821;3.7217,-3.9022,-.1797;.0958,2.4412,-2.5711;-.0275,2.4575,2.785;2.4626,-2.6708,.1076;2.4576,2.706,.059;-2.3721,2.8036,.3458;3.6288,4.0414,.2501;-3.5621,3.9147,-.2959;-2.5907,.0427,2.4973;2.7667,-.0765,2.5205;2.7779,.3543,-2.4025;.9628,-.964,1.0101;-1.0314,-1.0126,-1.0197;1.0238,.9924,-.9559;-.9654,1.0452,.9522;-3.4163,-1.1284,1.0743;2.7748,-1.0669,-1.2538;4.1055,.2304,3.6652;3.1591,1.2923,1.1586;.2439,3.6667,4.0754;1.2897,1.1399,3.1766;-1.1629,1.0357,-3.1995;-1.1588,-1.2204,2.8578;-1.1549,2.7942,-1.1345;-.2916,3.6174,-3.7916;1.0765,3.2016,1.2612;1.1891,-3.2284,-1.3675;3.463,-1.5566,1.42;3.9222,-.1269,-3.636;3.6113,1.7072,-1.5634;-3.4338,1.5778,1.2131;1.7756,-1.5361,3.6636;1.455,1.2555,-3.442;-1.6462,1.5521,3.404;-.0724,-.0798,-.0634;-3.8029,-.2485,3.7728;-1.5668,3.6999,1.6686;1.3265,-3.5033,1.4891;1.4463,3.3791,-1.6766;-.1574,-3.7019,3.9775;-1.8918,1.4578,-3.696;-4.025,-1.7565,1.5077;1.3596,-4.1712,-1.5592;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">12</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">12</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.93315448</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01290382</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">0.00380396</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">0.01290382</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00380396</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04690025</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">0.00977415</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="Ta"
                                 id="a1"
                                 x3="0.367173"
                                 y3="-2.435613"
                                 z3="2.824437"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.727322"
                                 y3="-3.895758"
                                 z3="-0.163424"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.098149"
                                 y3="2.438783"
                                 z3="-2.569396"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.025575"
                                 y3="2.454967"
                                 z3="2.790532"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.459294"
                                 y3="-2.670555"
                                 z3="0.10372"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.457698"
                                 y3="2.712038"
                                 z3="0.060694"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.374531"
                                 y3="2.808367"
                                 z3="0.338941"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.626588"
                                 y3="4.049734"
                                 z3="0.250865"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.575714"
                                 y3="3.913335"
                                 z3="-0.292537"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.594638"
                                 y3="0.040669"
                                 z3="2.496303"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.775127"
                                 y3="-0.076384"
                                 z3="2.523213"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.788172"
                                 y3="0.35225"
                                 z3="-2.404995"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.960329"
                                 y3="-0.965296"
                                 z3="1.012329"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.029246"
                                 y3="-1.022431"
                                 z3="-1.015167"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.021726"
                                 y3="0.990287"
                                 z3="-0.956347"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.967522"
                                 y3="1.044142"
                                 z3="0.947741"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.444732"
                                 y3="-1.118887"
                                 z3="1.076855"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.784173"
                                 y3="-1.073181"
                                 z3="-1.26218"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.116924"
                                 y3="0.221214"
                                 z3="3.667398"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.163866"
                                 y3="1.301623"
                                 z3="1.166488"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.237947"
                                 y3="3.667747"
                                 z3="4.080218"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.293624"
                                 y3="1.142253"
                                 z3="3.181853"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.149826"
                                 y3="1.028184"
                                 z3="-3.20991"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.171362"
                                 y3="-1.231639"
                                 z3="2.858368"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.159926"
                                 y3="2.799524"
                                 z3="-1.145921"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.282769"
                                 y3="3.619992"
                                 z3="-3.788383"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.072402"
                                 y3="3.200303"
                                 z3="1.259473"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.203431"
                                 y3="-3.249424"
                                 z3="-1.378114"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.463264"
                                 y3="-1.546388"
                                 z3="1.416432"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.9126"
                                 y3="-0.125252"
                                 z3="-3.657523"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.623044"
                                 y3="1.7038"
                                 z3="-1.564805"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.432364"
                                 y3="1.585859"
                                 z3="1.218327"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.772193"
                                 y3="-1.533998"
                                 z3="3.665267"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.459277"
                                 y3="1.254792"
                                 z3="-3.439277"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.643242"
                                 y3="1.551813"
                                 z3="3.400374"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.072638"
                                 y3="-0.080951"
                                 z3="-0.063294"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.795384"
                                 y3="-0.244615"
                                 z3="3.782949"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.56689"
                                 y3="3.709676"
                                 z3="1.65579"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.320107"
                                 y3="-3.501727"
                                 z3="1.48427"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.448626"
                                 y3="3.378805"
                                 z3="-1.670002"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.141568"
                                 y3="-3.713169"
                                 z3="3.975911"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.908959"
                                 y3="1.451647"
                                 z3="-3.657883"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.071894"
                                 y3="-1.731089"
                                 z3="1.506545"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.389222"
                                 y3="-4.186747"
                                 z3="-1.580535"/>
                        </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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3672,-2.4356,2.8244;3.7273,-3.8958,-.1634;.0981,2.4388,-2.5694;-.0256,2.455,2.7905;2.4593,-2.6706,.1037;2.4577,2.712,.0607;-2.3745,2.8084,.3389;3.6266,4.0497,.2509;-3.5757,3.9133,-.2925;-2.5946,.0407,2.4963;2.7751,-.0764,2.5232;2.7882,.3523,-2.405;.9603,-.9653,1.0123;-1.0292,-1.0224,-1.0152;1.0217,.9903,-.9563;-.9675,1.0441,.9477;-3.4447,-1.1189,1.0769;2.7842,-1.0732,-1.2622;4.1169,.2212,3.6674;3.1639,1.3016,1.1665;.2379,3.6677,4.0802;1.2936,1.1423,3.1819;-1.1498,1.0282,-3.2099;-1.1714,-1.2316,2.8584;-1.1599,2.7995,-1.1459;-.2828,3.62,-3.7884;1.0724,3.2003,1.2595;1.2034,-3.2494,-1.3781;3.4633,-1.5464,1.4164;3.9126,-.1253,-3.6575;3.623,1.7038,-1.5648;-3.4324,1.5859,1.2183;1.7722,-1.534,3.6653;1.4593,1.2548,-3.4393;-1.6432,1.5518,3.4004;-.0726,-.081,-.0633;-3.7954,-.2446,3.7829;-1.5669,3.7097,1.6558;1.3201,-3.5017,1.4843;1.4486,3.3788,-1.67;-.1416,-3.7132,3.9759;-1.909,1.4516,-3.6579;-4.0719,-1.7311,1.5065;1.3892,-4.1867,-1.5805;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">13</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">13</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.93436517</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01349949</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">0.00339152</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">0.01349949</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00339152</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.13142310</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">0.02102772</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="Ta"
                                 id="a1"
                                 x3="0.36372"
                                 y3="-2.430808"
                                 z3="2.827531"/>
                           <atom elementType="O"
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                                 x3="3.728326"
                                 y3="-3.881391"
                                 z3="-0.156332"/>
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                                 x3="0.104361"
                                 y3="2.432962"
                                 z3="-2.565173"/>
                           <atom elementType="Ta"
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                                 x3="-0.018112"
                                 y3="2.45262"
                                 z3="2.798285"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.449927"
                                 y3="-2.666417"
                                 z3="0.093266"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.459698"
                                 y3="2.726521"
                                 z3="0.058838"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.377633"
                                 y3="2.813754"
                                 z3="0.32936"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.628948"
                                 y3="4.0651"
                                 z3="0.24742"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.597278"
                                 y3="3.911548"
                                 z3="-0.277149"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.604018"
                                 y3="0.038945"
                                 z3="2.491782"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.789587"
                                 y3="-0.075034"
                                 z3="2.524406"/>
                           <atom elementType="W"
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                                 x3="2.811687"
                                 y3="0.35192"
                                 z3="-2.405201"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.955884"
                                 y3="-0.965352"
                                 z3="1.013429"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.029952"
                                 y3="-1.049689"
                                 z3="-1.012144"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.015109"
                                 y3="0.984735"
                                 z3="-0.955201"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.968494"
                                 y3="1.03697"
                                 z3="0.943007"/>
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                                 id="a17"
                                 x3="-3.485574"
                                 y3="-1.093715"
                                 z3="1.068056"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.804993"
                                 y3="-1.085012"
                                 z3="-1.277952"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.131969"
                                 y3="0.204731"
                                 z3="3.672573"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.17088"
                                 y3="1.321013"
                                 z3="1.176044"/>
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                                 id="a21"
                                 x3="0.225193"
                                 y3="3.679865"
                                 z3="4.07989"/>
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                                 id="a22"
                                 x3="1.301645"
                                 y3="1.149981"
                                 z3="3.189491"/>
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                                 x3="-1.10803"
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                                 z3="-3.218346"/>
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                                 x3="-1.202494"
                                 y3="-1.260794"
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                                 id="a25"
                                 x3="-1.172959"
                                 y3="2.803059"
                                 z3="-1.165802"/>
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                                 id="a26"
                                 x3="-0.277708"
                                 y3="3.616512"
                                 z3="-3.781376"/>
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                                 id="a27"
                                 x3="1.068027"
                                 y3="3.193956"
                                 z3="1.253981"/>
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                                 id="a28"
                                 x3="1.21575"
                                 y3="-3.280347"
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                                 x3="3.469766"
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                                 z3="-3.687364"/>
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                                 z3="-1.558542"/>
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                                 id="a32"
                                 x3="-3.435631"
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                                 z3="1.231932"/>
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                                 id="a33"
                                 x3="1.764725"
                                 y3="-1.522059"
                                 z3="3.663555"/>
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                                 id="a34"
                                 x3="1.480673"
                                 y3="1.265945"
                                 z3="-3.436406"/>
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                                 id="a35"
                                 x3="-1.63459"
                                 y3="1.547949"
                                 z3="3.402887"/>
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                                 z3="-0.069486"/>
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                                 id="a37"
                                 x3="-3.800427"
                                 y3="-0.24191"
                                 z3="3.781446"/>
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                                 id="a38"
                                 x3="-1.556063"
                                 y3="3.726441"
                                 z3="1.62921"/>
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                                 id="a39"
                                 x3="1.311522"
                                 y3="-3.505267"
                                 z3="1.479753"/>
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                                 id="a40"
                                 x3="1.450483"
                                 y3="3.383559"
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                                 x3="-0.101164"
                                 y3="-3.726621"
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                                 x3="1.427394"
                                 y3="-4.20495"
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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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3637,-2.4308,2.8275;3.7283,-3.8814,-.1563;.1044,2.433,-2.5652;-.0181,2.4526,2.7983;2.4499,-2.6664,.0933;2.4597,2.7265,.0588;-2.3776,2.8138,.3294;3.6289,4.0651,.2474;-3.5973,3.9115,-.2771;-2.604,.0389,2.4918;2.7896,-.075,2.5244;2.8117,.3519,-2.4052;.9559,-.9654,1.0134;-1.03,-1.0497,-1.0121;1.0151,.9847,-.9552;-.9685,1.037,.943;-3.4856,-1.0937,1.0681;2.805,-1.085,-1.278;4.132,.2047,3.6726;3.1709,1.321,1.176;.2252,3.6799,4.0799;1.3016,1.15,3.1895;-1.108,1.0032,-3.2183;-1.2025,-1.2608,2.8655;-1.173,2.8031,-1.1658;-.2777,3.6165,-3.7814;1.068,3.194,1.254;1.2158,-3.2803,-1.3907;3.4698,-1.5257,1.4032;3.9033,-.1176,-3.6874;3.6528,1.6965,-1.5585;-3.4356,1.6073,1.2319;1.7647,-1.5221,3.6636;1.4807,1.2659,-3.4364;-1.6346,1.5479,3.4029;-.0809,-.0906,-.0695;-3.8004,-.2419,3.7814;-1.5561,3.7264,1.6292;1.3115,-3.5053,1.4798;1.4505,3.3836,-1.6543;-.1012,-3.7266,3.9798;-1.9476,1.3999,-3.5265;-4.1543,-1.6731,1.4796;1.4274,-4.205,-1.6207;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">14</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">14</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.93597535</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01395887</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">0.00357608</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">0.01395887</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00357608</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.12017761</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">0.01454531</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="Ta"
                                 id="a1"
                                 x3="0.359513"
                                 y3="-2.426314"
                                 z3="2.825081"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.724618"
                                 y3="-3.875585"
                                 z3="-0.161887"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.110045"
                                 y3="2.432649"
                                 z3="-2.562901"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.012454"
                                 y3="2.45209"
                                 z3="2.799258"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.443783"
                                 y3="-2.663533"
                                 z3="0.087811"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.461844"
                                 y3="2.733201"
                                 z3="0.056665"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.379605"
                                 y3="2.814807"
                                 z3="0.327856"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.63279"
                                 y3="4.070628"
                                 z3="0.246681"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.603893"
                                 y3="3.910596"
                                 z3="-0.272719"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.608361"
                                 y3="0.037858"
                                 z3="2.487509"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.795506"
                                 y3="-0.072647"
                                 z3="2.520067"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.822713"
                                 y3="0.353869"
                                 z3="-2.403622"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.953199"
                                 y3="-0.963601"
                                 z3="1.009481"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.035475"
                                 y3="-1.065164"
                                 z3="-1.011635"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.009328"
                                 y3="0.981022"
                                 z3="-0.957152"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.97023"
                                 y3="1.031056"
                                 z3="0.941171"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.490646"
                                 y3="-1.081438"
                                 z3="1.056537"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.81059"
                                 y3="-1.092097"
                                 z3="-1.287158"/>
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                                 id="a19"
                                 x3="4.13492"
                                 y3="0.201745"
                                 z3="3.672629"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.172878"
                                 y3="1.329036"
                                 z3="1.176441"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.222852"
                                 y3="3.687658"
                                 z3="4.074081"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.307533"
                                 y3="1.156264"
                                 z3="3.191068"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.079286"
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                                 z3="-3.21266"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.224601"
                                 y3="-1.282643"
                                 z3="2.868303"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.182366"
                                 y3="2.799412"
                                 z3="-1.175179"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.27678"
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                                 z3="-3.777359"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.069537"
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                                 id="a28"
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                                 y3="-3.286222"
                                 z3="-1.392791"/>
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                                 id="a29"
                                 x3="3.473874"
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                                 id="a30"
                                 x3="3.901576"
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                                 x3="3.668617"
                                 y3="1.689958"
                                 z3="-1.550691"/>
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                                 id="a32"
                                 x3="-3.438992"
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                                 id="a33"
                                 x3="1.759568"
                                 y3="-1.508713"
                                 z3="3.657957"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.496253"
                                 y3="1.278716"
                                 z3="-3.4349"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.62925"
                                 y3="1.542464"
                                 z3="3.406185"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.088568"
                                 y3="-0.09682"
                                 z3="-0.077059"/>
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                                 id="a37"
                                 x3="-3.813991"
                                 y3="-0.237485"
                                 z3="3.768668"/>
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                                 x3="-1.549723"
                                 y3="3.730191"
                                 z3="1.618734"/>
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                                 x3="1.311843"
                                 y3="-3.504906"
                                 z3="1.481517"/>
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                                 y3="3.386625"
                                 z3="-1.648455"/>
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                                 x3="-0.0843"
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                                 x3="-1.970459"
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                                 z3="-3.406283"/>
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                                 x3="-4.183338"
                                 y3="-1.641328"
                                 z3="1.454709"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.443101"
                                 y3="-4.20149"
                                 z3="-1.642626"/>
                        </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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3595,-2.4263,2.8251;3.7246,-3.8756,-.1619;.11,2.4326,-2.5629;-.0125,2.4521,2.7993;2.4438,-2.6635,.0878;2.4618,2.7332,.0567;-2.3796,2.8148,.3279;3.6328,4.0706,.2467;-3.6039,3.9106,-.2727;-2.6084,.0379,2.4875;2.7955,-.0726,2.5201;2.8227,.3539,-2.4036;.9532,-.9636,1.0095;-1.0355,-1.0652,-1.0116;1.0093,.981,-.9572;-.9702,1.0311,.9412;-3.4906,-1.0814,1.0565;2.8106,-1.0921,-1.2872;4.1349,.2017,3.6726;3.1729,1.329,1.1764;.2229,3.6877,4.0741;1.3075,1.1563,3.1911;-1.0793,.9893,-3.2127;-1.2246,-1.2826,2.8683;-1.1824,2.7994,-1.1752;-.2768,3.6175,-3.7774;1.0695,3.1905,1.2523;1.2151,-3.2862,-1.3928;3.4739,-1.5185,1.3943;3.9016,-.1169,-3.6953;3.6686,1.69,-1.5507;-3.439,1.6176,1.2383;1.7596,-1.5087,3.658;1.4963,1.2787,-3.4349;-1.6293,1.5425,3.4062;-.0886,-.0968,-.0771;-3.814,-.2375,3.7687;-1.5497,3.7302,1.6187;1.3118,-3.5049,1.4815;1.4542,3.3866,-1.6485;-.0843,-3.724,3.9827;-1.9705,1.3435,-3.4063;-4.1833,-1.6413,1.4547;1.4431,-4.2015,-1.6426;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">15</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">15</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.93671017</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01440344</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">0.00376724</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">0.01440344</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00376724</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.30290485</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">0.03587363</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="Ta"
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                                 x3="0.349866"
                                 y3="-2.413545"
                                 z3="2.817186"/>
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                                 y3="-3.867324"
                                 z3="-0.176325"/>
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                                 z3="-2.558152"/>
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                                 z3="2.79986"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.429951"
                                 y3="-2.658521"
                                 z3="0.079233"/>
                           <atom elementType="Ta"
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                                 x3="2.465599"
                                 y3="2.746617"
                                 z3="0.051386"/>
                           <atom elementType="W"
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                                 x3="-2.384734"
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                                 z3="0.333542"/>
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                                 z3="0.245995"/>
                           <atom elementType="O"
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                                 x3="-3.611801"
                                 y3="3.916737"
                                 z3="-0.262321"/>
                           <atom elementType="Ta"
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                                 x3="-2.615377"
                                 y3="0.033571"
                                 z3="2.473504"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.805808"
                                 y3="-0.066195"
                                 z3="2.507255"/>
                           <atom elementType="W"
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                                 x3="2.838041"
                                 y3="0.360873"
                                 z3="-2.401063"/>
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                                 x3="0.946931"
                                 y3="-0.958386"
                                 z3="0.997847"/>
                           <atom elementType="O"
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                                 y3="-1.09112"
                                 z3="-1.007797"/>
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                                 id="a15"
                                 x3="0.993835"
                                 y3="0.974819"
                                 z3="-0.96664"/>
                           <atom elementType="O"
                                 id="a16"
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                                 y3="1.021326"
                                 z3="0.936049"/>
                           <atom elementType="O"
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                                 y3="-1.057175"
                                 z3="1.022608"/>
                           <atom elementType="O"
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                                 y3="-1.107073"
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                                 y3="0.203518"
                                 z3="3.669135"/>
                           <atom elementType="O"
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                                 x3="3.177031"
                                 y3="1.342195"
                                 z3="1.172914"/>
                           <atom elementType="O"
                                 id="a21"
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                                 y3="3.695149"
                                 z3="4.065378"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.322668"
                                 y3="1.170307"
                                 z3="3.189242"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.018302"
                                 y3="0.962588"
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                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.270263"
                                 y3="-1.330651"
                                 z3="2.847846"/>
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                                 id="a25"
                                 x3="-1.206994"
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                                 id="a26"
                                 x3="-0.275831"
                                 y3="3.627311"
                                 z3="-3.768329"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.074806"
                                 y3="3.187833"
                                 z3="1.252152"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.205811"
                                 y3="-3.290216"
                                 z3="-1.391064"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.480823"
                                 y3="-1.509335"
                                 z3="1.377908"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.893099"
                                 y3="-0.119971"
                                 z3="-3.707651"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.695756"
                                 y3="1.677714"
                                 z3="-1.534926"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.447933"
                                 y3="1.637386"
                                 z3="1.25067"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.746882"
                                 y3="-1.473994"
                                 z3="3.643505"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.522544"
                                 y3="1.309495"
                                 z3="-3.432975"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.61491"
                                 y3="1.522554"
                                 z3="3.411693"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.105593"
                                 y3="-0.104898"
                                 z3="-0.095607"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.847843"
                                 y3="-0.227627"
                                 z3="3.730542"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.53838"
                                 y3="3.734968"
                                 z3="1.610784"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.314572"
                                 y3="-3.50222"
                                 z3="1.49018"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.461519"
                                 y3="3.394515"
                                 z3="-1.640243"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.059235"
                                 y3="-3.706314"
                                 z3="3.990798"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.971802"
                                 y3="1.159538"
                                 z3="-3.103378"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.228501"
                                 y3="-1.572863"
                                 z3="1.389775"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.471869"
                                 y3="-4.180591"
                                 z3="-1.687564"/>
                        </atomArray>
                        <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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                  <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">-13.93792521</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01525322</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">0.00461789</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">0.01525322</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00461789</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.28199446</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                                 y3="-2.402368"
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                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
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                           <bond atomRefs2="a7 a9" order="S"/>
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                        </bondArray>
                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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               <module cmlx:templateRef="geometry.cycle">
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                  <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">-13.93909216</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02146543</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">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02146543</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00545718</scalar>
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                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.30274073</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
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                        <property dictRef="cml:molmass">
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                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
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                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
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                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.3279,-2.3854,2.7903;3.6541,-3.8579,-.2485;.1096,2.4409,-2.5336;.0325,2.4541,2.8056;2.3853,-2.6464,.0646;2.4636,2.782,.0441;-2.402,2.8466,.3879;3.6243,4.1203,.2455;-3.5983,3.9697,-.219;-2.6227,.0317,2.4444;2.8188,-.0575,2.4671;2.8308,.3979,-2.3931;.925,-.9481,.9641;-1.1312,-1.0437,-1.033;.9528,.9704,-.9927;-1.0175,1.018,.9361;-3.4383,-.9969,.9341;2.7577,-1.1285,-1.3798;4.1443,.217,3.6357;3.1823,1.3575,1.1479;.2641,3.6851,4.0827;1.3672,1.2028,3.1712;-.9179,.8803,-3.12;-1.3408,-1.4133,2.7105;-1.3039,2.7099,-1.2197;-.2993,3.6261,-3.7541;1.0925,3.2059,1.2746;1.1128,-3.2713,-1.3512;3.4851,-1.5164,1.3406;3.8389,-.1095,-3.7258;3.7129,1.6834,-1.5076;-3.4811,1.6885,1.3032;1.719,-1.3979,3.5944;1.5483,1.4004,-3.4303;-1.562,1.4489,3.4295;-.1439,-.0902,-.1232;-3.9258,-.2075,3.6359;-1.5185,3.7405,1.6512;1.3304,-3.4914,1.5203;1.4259,3.418,-1.6116;-.0421,-3.6276,4.0279;-1.4042,.3467,-2.4659;-4.2949,-1.3695,1.2154;1.4718,-4.065,-1.7898;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">19</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">19</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.94527411</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03560618</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">0.00906787</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">0.03560618</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00906787</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.29449720</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">0.06523843</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="Ta"
                                 id="a1"
                                 x3="0.299236"
                                 y3="-2.42009"
                                 z3="2.762792"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.704384"
                                 y3="-3.807912"
                                 z3="-0.23138"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.072354"
                                 y3="2.459062"
                                 z3="-2.53306"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="0.050596"
                                 y3="2.434661"
                                 z3="2.765983"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.415243"
                                 y3="-2.613448"
                                 z3="0.064629"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.429051"
                                 y3="2.789253"
                                 z3="0.046368"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.400624"
                                 y3="2.859446"
                                 z3="0.458304"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.593848"
                                 y3="4.127224"
                                 z3="0.233036"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.59003"
                                 y3="4.025006"
                                 z3="-0.07755"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.691615"
                                 y3="0.013662"
                                 z3="2.538154"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.776243"
                                 y3="-0.043462"
                                 z3="2.47929"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.803489"
                                 y3="0.42616"
                                 z3="-2.410022"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.907513"
                                 y3="-0.946657"
                                 z3="0.957154"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.150045"
                                 y3="-1.051289"
                                 z3="-1.0542"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.933302"
                                 y3="0.987068"
                                 z3="-1.001607"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.036311"
                                 y3="1.016223"
                                 z3="0.946533"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.581193"
                                 y3="-0.989231"
                                 z3="1.04797"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.766027"
                                 y3="-1.086306"
                                 z3="-1.37239"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.094941"
                                 y3="0.236516"
                                 z3="3.654207"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.13346"
                                 y3="1.370707"
                                 z3="1.155993"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.322409"
                                 y3="3.664925"
                                 z3="4.036061"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.359741"
                                 y3="1.185151"
                                 z3="3.142333"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.865897"
                                 y3="0.866754"
                                 z3="-3.193909"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.416459"
                                 y3="-1.467639"
                                 z3="2.705585"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.316896"
                                 y3="2.714892"
                                 z3="-1.168816"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.015194"
                                 y3="3.508506"
                                 z3="-3.928463"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.092051"
                                 y3="3.205065"
                                 z3="1.252006"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.166945"
                                 y3="-3.242556"
                                 z3="-1.376328"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.469483"
                                 y3="-1.485979"
                                 z3="1.359463"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.838028"
                                 y3="-0.058587"
                                 z3="-3.731163"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.659489"
                                 y3="1.711799"
                                 z3="-1.522956"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.466504"
                                 y3="1.719132"
                                 z3="1.404215"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.678316"
                                 y3="-1.436283"
                                 z3="3.611061"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.500064"
                                 y3="1.424949"
                                 z3="-3.466851"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.414748"
                                 y3="1.485136"
                                 z3="3.222605"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.173772"
                                 y3="-0.098686"
                                 z3="-0.133644"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.965936"
                                 y3="-0.216755"
                                 z3="3.762178"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.487066"
                                 y3="3.719418"
                                 z3="1.685832"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.353912"
                                 y3="-3.452742"
                                 z3="1.476209"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.399111"
                                 y3="3.431946"
                                 z3="-1.625385"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.10324"
                                 y3="-3.696967"
                                 z3="3.954529"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.109693"
                                 y3="0.175341"
                                 z3="-2.554814"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.421908"
                                 y3="-1.36832"
                                 z3="1.36642"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.521393"
                                 y3="-4.056392"
                                 z3="-1.780771"/>
                        </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="a3 a15" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.2992,-2.4201,2.7628;3.7044,-3.8079,-.2314;.0724,2.4591,-2.5331;.0506,2.4347,2.766;2.4152,-2.6134,.0646;2.4291,2.7893,.0464;-2.4006,2.8594,.4583;3.5938,4.1272,.233;-3.59,4.025,-.0775;-2.6916,.0137,2.5382;2.7762,-.0435,2.4793;2.8035,.4262,-2.41;.9075,-.9467,.9572;-1.15,-1.0513,-1.0542;.9333,.9871,-1.0016;-1.0363,1.0162,.9465;-3.5812,-.9892,1.048;2.766,-1.0863,-1.3724;4.0949,.2365,3.6542;3.1335,1.3707,1.156;.3224,3.6649,4.0361;1.3597,1.1852,3.1423;-.8659,.8668,-3.1939;-1.4165,-1.4676,2.7056;-1.3169,2.7149,-1.1688;-.0152,3.5085,-3.9285;1.0921,3.2051,1.252;1.1669,-3.2426,-1.3763;3.4695,-1.486,1.3595;3.838,-.0586,-3.7312;3.6595,1.7118,-1.523;-3.4665,1.7191,1.4042;1.6783,-1.4363,3.6111;1.5001,1.4249,-3.4669;-1.4147,1.4851,3.2226;-.1738,-.0987,-.1336;-3.9659,-.2168,3.7622;-1.4871,3.7194,1.6858;1.3539,-3.4527,1.4762;1.3991,3.4319,-1.6254;-.1032,-3.697,3.9545;-1.1097,.1753,-2.5548;-4.4219,-1.3683,1.3664;1.5214,-4.0564,-1.7808;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">20</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">20</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.91402315</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.14551963</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">0.02545105</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">0.14551963</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02545105</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06482460</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">0.01820381</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="Ta"
                                 id="a1"
                                 x3="0.313122"
                                 y3="-2.411481"
                                 z3="2.77001"/>
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                                 x3="3.686924"
                                 y3="-3.820439"
                                 z3="-0.247664"/>
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                                 x3="0.073973"
                                 y3="2.4468"
                                 z3="-2.525185"/>
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                                 x3="0.039905"
                                 y3="2.449271"
                                 z3="2.782896"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.408797"
                                 y3="-2.61727"
                                 z3="0.062069"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.445297"
                                 y3="2.789625"
                                 z3="0.044851"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.400595"
                                 y3="2.853394"
                                 z3="0.43639"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.611315"
                                 y3="4.128598"
                                 z3="0.228168"/>
                           <atom elementType="O"
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                                 x3="-3.590119"
                                 y3="4.007499"
                                 z3="-0.125781"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.679894"
                                 y3="0.017649"
                                 z3="2.517661"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.794713"
                                 y3="-0.052642"
                                 z3="2.482459"/>
                           <atom elementType="W"
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                                 x3="2.807718"
                                 y3="0.419502"
                                 z3="-2.40568"/>
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                                 x3="0.915692"
                                 y3="-0.941289"
                                 z3="0.963354"/>
                           <atom elementType="O"
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                                 x3="-1.14051"
                                 y3="-1.018447"
                                 z3="-1.061898"/>
                           <atom elementType="O"
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                                 x3="0.945579"
                                 y3="0.987488"
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                                 x3="-1.028218"
                                 y3="1.021078"
                                 z3="0.94599"/>
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                                 x3="-3.54555"
                                 y3="-0.989759"
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                           <atom elementType="O"
                                 id="a18"
                                 x3="2.765151"
                                 y3="-1.090235"
                                 z3="-1.374976"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.118948"
                                 y3="0.218558"
                                 z3="3.65398"/>
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                                 id="a20"
                                 x3="3.154899"
                                 y3="1.364632"
                                 z3="1.155033"/>
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                                 x3="0.295363"
                                 y3="3.683714"
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                                 x3="1.366129"
                                 y3="1.184517"
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                                 x3="-1.387714"
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                                 x3="-0.080019"
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                                 x3="1.091918"
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                                 y3="-3.233941"
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                                 id="a38"
                                 x3="-1.496685"
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                           <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="a3 a15" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.3131,-2.4115,2.77;3.6869,-3.8204,-.2477;.074,2.4468,-2.5252;.0399,2.4493,2.7829;2.4088,-2.6173,.0621;2.4453,2.7896,.0449;-2.4006,2.8534,.4364;3.6113,4.1286,.2282;-3.5901,4.0075,-.1258;-2.6799,.0176,2.5177;2.7947,-.0526,2.4825;2.8077,.4195,-2.4057;.9157,-.9413,.9634;-1.1405,-1.0184,-1.0619;.9456,.9875,-.9927;-1.0282,1.0211,.946;-3.5455,-.9898,1.0176;2.7652,-1.0902,-1.375;4.1189,.2186,3.654;3.1549,1.3646,1.155;.2954,3.6837,4.0616;1.3661,1.1845,3.1626;-.903,.8701,-3.1785;-1.3877,-1.4411,2.6985;-1.3133,2.7123,-1.1776;-.08,3.5092,-3.9019;1.0919,3.2154,1.261;1.142,-3.2339,-1.3746;3.4767,-1.4992,1.3528;3.8391,-.0678,-3.7295;3.6743,1.7109,-1.5216;-3.4729,1.704,1.3763;1.6927,-1.4386,3.6092;1.5138,1.4062,-3.4482;-1.476,1.4739,3.2756;-.1572,-.0841,-.1172;-3.959,-.2201,3.7312;-1.4967,3.7334,1.6828;1.3459,-3.4611,1.4831;1.4029,3.4243,-1.6258;-.0921,-3.6831,3.9651;-1.1706,.1786,-2.5286;-4.3865,-1.3749,1.3291;1.4904,-4.0464,-1.7865;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">21</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">21</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.93668377</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07575455</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">0.01510801</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">0.07575455</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01510801</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10851096</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">0.02095704</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="Ta"
                                 id="a1"
                                 x3="0.32396"
                                 y3="-2.401798"
                                 z3="2.777402"/>
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                                 id="a2"
                                 x3="3.671719"
                                 y3="-3.83369"
                                 z3="-0.25491"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.071816"
                                 y3="2.43051"
                                 z3="-2.51427"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="0.03155"
                                 y3="2.458227"
                                 z3="2.799757"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.401318"
                                 y3="-2.624553"
                                 z3="0.061443"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.4636"
                                 y3="2.785804"
                                 z3="0.043164"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.400292"
                                 y3="2.852629"
                                 z3="0.415865"/>
                           <atom elementType="O"
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                                 x3="3.627496"
                                 y3="4.12423"
                                 z3="0.22841"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.58627"
                                 y3="3.9964"
                                 z3="-0.167798"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.660906"
                                 y3="0.025154"
                                 z3="2.490436"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.805882"
                                 y3="-0.055287"
                                 z3="2.479345"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.817016"
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                                 z3="-2.40471"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.916953"
                                 y3="-0.937819"
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                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.128897"
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                                 z3="-1.099915"/>
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                                 id="a15"
                                 x3="0.960074"
                                 y3="0.986413"
                                 z3="-0.989322"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.020437"
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                                 x3="-3.503843"
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                                 z3="0.977556"/>
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                                 x3="2.764864"
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                                 z3="3.646273"/>
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                                 id="a20"
                                 x3="3.174272"
                                 y3="1.359474"
                                 z3="1.15078"/>
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                                 id="a21"
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                                 y3="3.683007"
                                 z3="4.085552"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.365881"
                                 y3="1.188454"
                                 z3="3.175083"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.942619"
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                                 z3="-3.141633"/>
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                                 id="a24"
                                 x3="-1.368788"
                                 y3="-1.428077"
                                 z3="2.687331"/>
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                                 x3="-1.31571"
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                                 z3="-1.190023"/>
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                                 x3="1.094747"
                                 y3="3.219501"
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                                 y3="-3.239848"
                                 z3="-1.368378"/>
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                                 x3="3.47661"
                                 y3="-1.507266"
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                                 x3="3.845033"
                                 y3="-0.073162"
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                                 x3="3.691747"
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                                 z3="-1.52191"/>
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                                 x3="-3.472711"
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                                 x3="1.7037"
                                 y3="-1.431818"
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                           <atom elementType="O"
                                 id="a34"
                                 x3="1.531821"
                                 y3="1.38497"
                                 z3="-3.424875"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.538943"
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                                 z3="3.344243"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.143039"
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                                 z3="-0.112784"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.940872"
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                                 z3="3.704727"/>
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                                 id="a38"
                                 x3="-1.505549"
                                 y3="3.741677"
                                 z3="1.679756"/>
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                                 z3="1.494628"/>
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                                 x3="1.405913"
                                 y3="3.413553"
                                 z3="-1.62276"/>
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                                 x3="-0.078857"
                                 y3="-3.665132"
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                                 x3="-1.195224"
                                 y3="0.183325"
                                 z3="-2.471446"/>
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                                 x3="-4.344563"
                                 y3="-1.374848"
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                           <atom elementType="H"
                                 id="a44"
                                 x3="1.465462"
                                 y3="-4.052286"
                                 z3="-1.782584"/>
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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="a3 a15" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.324,-2.4018,2.7774;3.6717,-3.8337,-.2549;.0718,2.4305,-2.5143;.0316,2.4582,2.7998;2.4013,-2.6246,.0614;2.4636,2.7858,.0432;-2.4003,2.8526,.4159;3.6275,4.1242,.2284;-3.5863,3.9964,-.1678;-2.6609,.0252,2.4904;2.8059,-.0553,2.4793;2.817,.4146,-2.4047;.917,-.9378,.9616;-1.1289,-.9651,-1.0999;.9601,.9864,-.9893;-1.0204,1.0268,.9362;-3.5038,-.9832,.9776;2.7649,-1.1013,-1.3805;4.1335,.2111,3.6463;3.1743,1.3595,1.1508;.2683,3.683,4.0856;1.3659,1.1885,3.1751;-.9426,.8698,-3.1416;-1.3688,-1.4281,2.6873;-1.3157,2.716,-1.19;-.1885,3.5099,-3.8615;1.0947,3.2195,1.2713;1.1195,-3.2398,-1.3684;3.4766,-1.5073,1.3461;3.845,-.0732,-3.7331;3.6917,1.7127,-1.5219;-3.4727,1.6962,1.3471;1.7037,-1.4318,3.5994;1.5318,1.385,-3.4249;-1.5389,1.4601,3.3442;-.143,-.068,-.1128;-3.9409,-.2164,3.7047;-1.5055,3.7417,1.6798;1.3368,-3.4723,1.4946;1.4059,3.4136,-1.6228;-.0789,-3.6651,3.9834;-1.1952,.1833,-2.4714;-4.3446,-1.3748,1.2811;1.4655,-4.0523,-1.7826;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">22</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">22</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.95152284</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02429680</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">0.00765904</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">0.02429680</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00765904</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.20903326</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">0.02464758</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 y3="-2.40043"
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                                 z3="2.802614"/>
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                                 x3="2.803294"
                                 y3="-0.054409"
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                           <atom elementType="W"
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                                 y3="0.423705"
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                                 y3="0.984621"
                                 z3="-0.990968"/>
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                                 y3="-0.971034"
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                                 z3="-1.388681"/>
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                                 y3="0.212769"
                                 z3="3.636702"/>
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                                 y3="1.35939"
                                 z3="1.144431"/>
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                                 y3="3.677734"
                                 z3="4.093833"/>
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                                 y3="1.194046"
                                 z3="3.170796"/>
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                                 id="a23"
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                                 y3="-1.431241"
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                                 z3="-3.864459"/>
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                                 id="a27"
                                 x3="1.097948"
                                 y3="3.222143"
                                 z3="1.277751"/>
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                                 id="a28"
                                 x3="1.084354"
                                 y3="-3.232212"
                                 z3="-1.35115"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.473474"
                                 y3="-1.511749"
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                           <atom elementType="O"
                                 id="a30"
                                 x3="3.847024"
                                 y3="-0.061134"
                                 z3="-3.728415"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.687614"
                                 y3="1.721361"
                                 z3="-1.515602"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.479406"
                                 y3="1.704655"
                                 z3="1.366649"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.700787"
                                 y3="-1.423477"
                                 z3="3.589813"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.53853"
                                 y3="1.397095"
                                 z3="-3.421598"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.528088"
                                 y3="1.448465"
                                 z3="3.356505"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.147433"
                                 y3="-0.060239"
                                 z3="-0.110618"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.945593"
                                 y3="-0.219447"
                                 z3="3.702958"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.502093"
                                 y3="3.737359"
                                 z3="1.694285"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.339228"
                                 y3="-3.473929"
                                 z3="1.502482"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.384845"
                                 y3="3.415698"
                                 z3="-1.616061"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.077881"
                                 y3="-3.650176"
                                 z3="3.997479"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-0.986191"
                                 y3="0.054627"
                                 z3="-2.511196"/>
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                                 id="a43"
                                 x3="-4.343328"
                                 y3="-1.341862"
                                 z3="1.25459"/>
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                                 id="a44"
                                 x3="1.437464"
                                 y3="-4.029184"
                                 z3="-1.78875"/>
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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="a3 a15" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
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                  <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">-13.95249629</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02519696</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">0.00782654</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">0.02519696</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00782654</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09658874</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">0.02273243</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                        <atomArray>
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                                 y3="-2.428929"
                                 z3="2.76572"/>
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                                 y3="-2.613963"
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                                 y3="-0.054696"
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                                 y3="0.437847"
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                           <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"/>
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                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
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                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
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                           <bond atomRefs2="a12 a30" order="S"/>
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                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
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                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
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                  </module>
               </module>
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                  <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">-13.94773932</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06064326</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">0.01168000</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">0.06064326</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01168000</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03269207</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
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                           <atom elementType="Ta"
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                                 y3="2.782085"
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                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
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                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
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                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
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                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.3289,-2.4156,2.7792;3.6484,-3.8378,-.2959;.0514,2.4046,-2.5091;.0169,2.4721,2.7987;2.3955,-2.6219,.058;2.466,2.7803,.0418;-2.4001,2.8509,.4157;3.6214,4.1248,.2338;-3.5657,4.0153,-.1675;-2.6546,.0371,2.4993;2.792,-.057,2.4777;2.8275,.4299,-2.4065;.9071,-.9427,.9576;-1.1044,-.8923,-1.1518;.9838,.9887,-.9946;-1.016,1.0387,.9331;-3.4824,-.9737,.9677;2.7555,-1.091,-1.3786;4.1286,.2068,3.6321;3.1577,1.3487,1.1437;.2493,3.6711,4.1034;1.3541,1.1879,3.1708;-.9898,.8759,-3.1247;-1.34,-1.4008,2.6867;-1.3219,2.7246,-1.1853;-.2435,3.4227,-3.8938;1.0967,3.2233,1.2775;1.0595,-3.2176,-1.3436;3.462,-1.5167,1.3408;3.8953,-.0367,-3.7112;3.6781,1.744,-1.5169;-3.4703,1.6946,1.3519;1.7097,-1.4501,3.5903;1.5573,1.3782,-3.4231;-1.5445,1.4586,3.3603;-.1281,-.0478,-.0995;-3.9162,-.2286,3.729;-1.5074,3.727,1.6925;1.3381,-3.4805,1.4929;1.3728,3.4114,-1.6192;-.0909,-3.6648,3.995;-1.0135,.0872,-2.4949;-4.3203,-1.3733,1.27;1.3893,-4.0368,-1.7578;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">26</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">26</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.95684880</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02545686</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">0.00530557</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">0.02545686</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00530557</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07135329</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">0.01559412</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="Ta"
                                 id="a1"
                                 x3="0.334576"
                                 y3="-2.414215"
                                 z3="2.786311"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.648094"
                                 y3="-3.844348"
                                 z3="-0.295529"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.051357"
                                 y3="2.400066"
                                 z3="-2.512613"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="0.013652"
                                 y3="2.475096"
                                 z3="2.806233"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.394783"
                                 y3="-2.628096"
                                 z3="0.05682"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.472961"
                                 y3="2.778452"
                                 z3="0.037088"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.399439"
                                 y3="2.85829"
                                 z3="0.400085"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.630195"
                                 y3="4.123635"
                                 z3="0.231621"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.567609"
                                 y3="4.020208"
                                 z3="-0.185046"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.638757"
                                 y3="0.04336"
                                 z3="2.474093"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.795968"
                                 y3="-0.057561"
                                 z3="2.47639"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.836216"
                                 y3="0.421427"
                                 z3="-2.40645"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.906302"
                                 y3="-0.946931"
                                 z3="0.954107"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.074897"
                                 y3="-0.898572"
                                 z3="-1.173532"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.989059"
                                 y3="0.987283"
                                 z3="-0.996442"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.010702"
                                 y3="1.042688"
                                 z3="0.920838"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.463803"
                                 y3="-0.970061"
                                 z3="0.939554"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.757915"
                                 y3="-1.10109"
                                 z3="-1.38313"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.135295"
                                 y3="0.204282"
                                 z3="3.629464"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.16402"
                                 y3="1.34656"
                                 z3="1.140864"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.236644"
                                 y3="3.672339"
                                 z3="4.122252"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.351602"
                                 y3="1.190177"
                                 z3="3.174684"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.015943"
                                 y3="0.883966"
                                 z3="-3.092248"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.335973"
                                 y3="-1.40386"
                                 z3="2.683071"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.323565"
                                 y3="2.74806"
                                 z3="-1.200104"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.311112"
                                 y3="3.440879"
                                 z3="-3.862741"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.095749"
                                 y3="3.22521"
                                 z3="1.278529"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.053267"
                                 y3="-3.227649"
                                 z3="-1.338832"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.458643"
                                 y3="-1.516886"
                                 z3="1.338648"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.907438"
                                 y3="-0.048807"
                                 z3="-3.706937"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.685832"
                                 y3="1.742585"
                                 z3="-1.515489"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.467397"
                                 y3="1.694771"
                                 z3="1.328715"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.717689"
                                 y3="-1.443795"
                                 z3="3.588623"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.566179"
                                 y3="1.360715"
                                 z3="-3.417026"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.582433"
                                 y3="1.446234"
                                 z3="3.405938"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.119994"
                                 y3="-0.046498"
                                 z3="-0.1042"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.89427"
                                 y3="-0.229771"
                                 z3="3.703374"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.509144"
                                 y3="3.733811"
                                 z3="1.68928"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.334305"
                                 y3="-3.490052"
                                 z3="1.500616"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.376541"
                                 y3="3.404669"
                                 z3="-1.621405"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.078131"
                                 y3="-3.656502"
                                 z3="4.010395"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.068491"
                                 y3="0.117898"
                                 z3="-2.423529"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.301782"
                                 y3="-1.372797"
                                 z3="1.23762"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.382662"
                                 y3="-4.046472"
                                 z3="-1.754357"/>
                        </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="a3 a15" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.3346,-2.4142,2.7863;3.6481,-3.8443,-.2955;.0514,2.4001,-2.5126;.0137,2.4751,2.8062;2.3948,-2.6281,.0568;2.473,2.7785,.0371;-2.3994,2.8583,.4001;3.6302,4.1236,.2316;-3.5676,4.0202,-.185;-2.6388,.0434,2.4741;2.796,-.0576,2.4764;2.8362,.4214,-2.4064;.9063,-.9469,.9541;-1.0749,-.8986,-1.1735;.9891,.9873,-.9964;-1.0107,1.0427,.9208;-3.4638,-.9701,.9396;2.7579,-1.1011,-1.3831;4.1353,.2043,3.6295;3.164,1.3466,1.1409;.2366,3.6723,4.1223;1.3516,1.1902,3.1747;-1.0159,.884,-3.0922;-1.336,-1.4039,2.6831;-1.3236,2.7481,-1.2001;-.3111,3.4409,-3.8627;1.0957,3.2252,1.2785;1.0533,-3.2276,-1.3388;3.4586,-1.5169,1.3386;3.9074,-.0488,-3.7069;3.6858,1.7426,-1.5155;-3.4674,1.6948,1.3287;1.7177,-1.4438,3.5886;1.5662,1.3607,-3.417;-1.5824,1.4462,3.4059;-.12,-.0465,-.1042;-3.8943,-.2298,3.7034;-1.5091,3.7338,1.6893;1.3343,-3.4901,1.5006;1.3765,3.4047,-1.6214;-.0781,-3.6565,4.0104;-1.0685,.1179,-2.4235;-4.3018,-1.3728,1.2376;1.3827,-4.0465,-1.7544;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">27</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">27</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.95981362</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02292409</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">0.00437910</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">0.02292409</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00437910</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06361823</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">0.00954017</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="Ta"
                                 id="a1"
                                 x3="0.337041"
                                 y3="-2.416106"
                                 z3="2.792916"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.651963"
                                 y3="-3.845769"
                                 z3="-0.292593"/>
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                                 id="a3"
                                 x3="0.055745"
                                 y3="2.402678"
                                 z3="-2.521352"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="0.014555"
                                 y3="2.476866"
                                 z3="2.808632"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.395731"
                                 y3="-2.631949"
                                 z3="0.056551"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.473944"
                                 y3="2.777201"
                                 z3="0.034437"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.395601"
                                 y3="2.862854"
                                 z3="0.393047"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.630871"
                                 y3="4.122922"
                                 z3="0.232241"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.565829"
                                 y3="4.024695"
                                 z3="-0.189597"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.631713"
                                 y3="0.044759"
                                 z3="2.461201"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.797027"
                                 y3="-0.057475"
                                 z3="2.474504"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.84217"
                                 y3="0.417876"
                                 z3="-2.406473"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.905727"
                                 y3="-0.951799"
                                 z3="0.954017"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.076292"
                                 y3="-0.916121"
                                 z3="-1.159097"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.99014"
                                 y3="0.984988"
                                 z3="-0.998075"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.006206"
                                 y3="1.042484"
                                 z3="0.916903"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.450879"
                                 y3="-0.971057"
                                 z3="0.924765"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.758142"
                                 y3="-1.106365"
                                 z3="-1.384613"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.138555"
                                 y3="0.205904"
                                 z3="3.624811"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.164012"
                                 y3="1.346007"
                                 z3="1.138557"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.23526"
                                 y3="3.67489"
                                 z3="4.125987"/>
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                                 id="a22"
                                 x3="1.351555"
                                 y3="1.1917"
                                 z3="3.177329"/>
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                                 x3="-1.023764"
                                 y3="0.897971"
                                 z3="-3.092524"/>
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                                 id="a24"
                                 x3="-1.344427"
                                 y3="-1.417701"
                                 z3="2.697143"/>
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                                 id="a25"
                                 x3="-1.321176"
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                                 z3="-1.208441"/>
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                                 id="a26"
                                 x3="-0.33531"
                                 y3="3.460918"
                                 z3="-3.850435"/>
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                                 id="a27"
                                 x3="1.096338"
                                 y3="3.224532"
                                 z3="1.278959"/>
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                                 id="a28"
                                 x3="1.053992"
                                 y3="-3.237323"
                                 z3="-1.335348"/>
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                                 x3="3.457264"
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                                 z3="-3.702741"/>
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                                 y3="1.741067"
                                 z3="-1.513503"/>
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                                 x3="-3.463601"
                                 y3="1.695249"
                                 z3="1.31531"/>
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                                 x3="1.722898"
                                 y3="-1.440808"
                                 z3="3.587891"/>
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                                 id="a34"
                                 x3="1.572902"
                                 y3="1.354545"
                                 z3="-3.420347"/>
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                                 id="a35"
                                 x3="-1.601486"
                                 y3="1.439083"
                                 z3="3.425063"/>
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                                 y3="-0.049978"
                                 z3="-0.103862"/>
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                                 x3="-3.889699"
                                 y3="-0.230428"
                                 z3="3.685928"/>
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                                 id="a38"
                                 x3="-1.506301"
                                 y3="3.737138"
                                 z3="1.687841"/>
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                                 id="a39"
                                 x3="1.336227"
                                 y3="-3.494014"
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                                 id="a40"
                                 x3="1.378604"
                                 y3="3.403857"
                                 z3="-1.621475"/>
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                                 x3="-0.065194"
                                 y3="-3.65441"
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                                 x3="-1.132109"
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                                 x3="-4.290245"
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                                 id="a44"
                                 x3="1.383596"
                                 y3="-4.056166"
                                 z3="-1.750372"/>
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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="a3 a15" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.337,-2.4161,2.7929;3.652,-3.8458,-.2926;.0557,2.4027,-2.5214;.0146,2.4769,2.8086;2.3957,-2.6319,.0566;2.4739,2.7772,.0344;-2.3956,2.8629,.393;3.6309,4.1229,.2322;-3.5658,4.0247,-.1896;-2.6317,.0448,2.4612;2.797,-.0575,2.4745;2.8422,.4179,-2.4065;.9057,-.9518,.954;-1.0763,-.9161,-1.1591;.9901,.985,-.9981;-1.0062,1.0425,.9169;-3.4509,-.9711,.9248;2.7581,-1.1064,-1.3846;4.1386,.2059,3.6248;3.164,1.346,1.1386;.2353,3.6749,4.126;1.3516,1.1917,3.1773;-1.0238,.898,-3.0925;-1.3444,-1.4177,2.6971;-1.3212,2.7609,-1.2084;-.3353,3.4609,-3.8504;1.0963,3.2245,1.279;1.054,-3.2373,-1.3353;3.4573,-1.516,1.3373;3.9174,-.0531,-3.7027;3.6887,1.7411,-1.5135;-3.4636,1.6952,1.3153;1.7229,-1.4408,3.5879;1.5729,1.3545,-3.4203;-1.6015,1.4391,3.4251;-.117,-.05,-.1039;-3.8897,-.2304,3.6859;-1.5063,3.7371,1.6878;1.3362,-3.494,1.5073;1.3786,3.4039,-1.6215;-.0652,-3.6544,4.0228;-1.1321,.1487,-2.4024;-4.2902,-1.3745,1.2174;1.3836,-4.0562,-1.7504;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">28</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">28</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.95948893</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02446074</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">0.00526293</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">0.02446074</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00526293</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03401989</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">0.00919859</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="Ta"
                                 id="a1"
                                 x3="0.342175"
                                 y3="-2.422896"
                                 z3="2.79754"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.64974"
                                 y3="-3.848322"
                                 z3="-0.2960"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.054616"
                                 y3="2.393417"
                                 z3="-2.532337"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="0.009811"
                                 y3="2.475365"
                                 z3="2.807261"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.395245"
                                 y3="-2.634955"
                                 z3="0.052755"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.464164"
                                 y3="2.775993"
                                 z3="0.039795"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.389456"
                                 y3="2.869274"
                                 z3="0.386561"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.612688"
                                 y3="4.123572"
                                 z3="0.244225"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.558758"
                                 y3="4.035033"
                                 z3="-0.181667"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.62211"
                                 y3="0.048672"
                                 z3="2.455941"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.792212"
                                 y3="-0.057477"
                                 z3="2.476284"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.855759"
                                 y3="0.423499"
                                 z3="-2.404819"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.902454"
                                 y3="-0.960036"
                                 z3="0.952891"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.068516"
                                 y3="-0.901042"
                                 z3="-1.164532"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.999274"
                                 y3="0.984475"
                                 z3="-1.002968"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.999449"
                                 y3="1.050137"
                                 z3="0.909211"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.463127"
                                 y3="-0.967972"
                                 z3="0.921934"/>
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                                 id="a18"
                                 x3="2.762115"
                                 y3="-1.101114"
                                 z3="-1.379102"/>
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                                 id="a19"
                                 x3="4.140163"
                                 y3="0.202474"
                                 z3="3.616894"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.151299"
                                 y3="1.345506"
                                 z3="1.141761"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.23015"
                                 y3="3.656456"
                                 z3="4.122687"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.342521"
                                 y3="1.189786"
                                 z3="3.173665"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.031524"
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                                 z3="-3.090475"/>
                           <atom elementType="O"
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                                 x3="-1.319964"
                                 y3="-1.398441"
                                 z3="2.702442"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.312528"
                                 y3="2.782754"
                                 z3="-1.212397"/>
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                                 id="a26"
                                 x3="-0.352342"
                                 y3="3.446902"
                                 z3="-3.861184"/>
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                                 id="a27"
                                 x3="1.088398"
                                 y3="3.220241"
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                                 x3="1.044237"
                                 y3="-3.239325"
                                 z3="-1.331194"/>
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                                 id="a29"
                                 x3="3.446962"
                                 y3="-1.516131"
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                                 id="a30"
                                 x3="3.951427"
                                 y3="-0.038261"
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                           <atom elementType="O"
                                 id="a31"
                                 x3="3.678488"
                                 y3="1.753715"
                                 z3="-1.507863"/>
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                                 id="a32"
                                 x3="-3.455723"
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                                 id="a33"
                                 x3="1.728543"
                                 y3="-1.449065"
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                           <atom elementType="O"
                                 id="a34"
                                 x3="1.574888"
                                 y3="1.341287"
                                 z3="-3.431969"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.590324"
                                 y3="1.451971"
                                 z3="3.420321"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.105853"
                                 y3="-0.047555"
                                 z3="-0.102482"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.867405"
                                 y3="-0.243536"
                                 z3="3.697943"/>
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                                 id="a38"
                                 x3="-1.504735"
                                 y3="3.72876"
                                 z3="1.682865"/>
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                                 x3="1.327983"
                                 y3="-3.496632"
                                 z3="1.496816"/>
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                                 id="a40"
                                 x3="1.366196"
                                 y3="3.402472"
                                 z3="-1.620822"/>
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                                 id="a41"
                                 x3="-0.065132"
                                 y3="-3.661385"
                                 z3="4.027011"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.140207"
                                 y3="0.153287"
                                 z3="-2.387542"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.298259"
                                 y3="-1.372612"
                                 z3="1.222681"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.367405"
                                 y3="-4.064921"
                                 z3="-1.738529"/>
                        </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="a3 a15" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.3422,-2.4229,2.7975;3.6497,-3.8483,-.296;.0546,2.3934,-2.5323;.0098,2.4754,2.8073;2.3952,-2.635,.0528;2.4642,2.776,.0398;-2.3895,2.8693,.3866;3.6127,4.1236,.2442;-3.5588,4.035,-.1817;-2.6221,.0487,2.4559;2.7922,-.0575,2.4763;2.8558,.4235,-2.4048;.9025,-.96,.9529;-1.0685,-.901,-1.1645;.9993,.9845,-1.003;-.9994,1.0501,.9092;-3.4631,-.968,.9219;2.7621,-1.1011,-1.3791;4.1402,.2025,3.6169;3.1513,1.3455,1.1418;.2301,3.6565,4.1227;1.3425,1.1898,3.1737;-1.0315,.8911,-3.0905;-1.32,-1.3984,2.7024;-1.3125,2.7828,-1.2124;-.3523,3.4469,-3.8612;1.0884,3.2202,1.2796;1.0442,-3.2393,-1.3312;3.447,-1.5161,1.3366;3.9514,-.0383,-3.6876;3.6785,1.7537,-1.5079;-3.4557,1.6942,1.3009;1.7285,-1.4491,3.5924;1.5749,1.3413,-3.432;-1.5903,1.452,3.4203;-.1059,-.0476,-.1025;-3.8674,-.2435,3.6979;-1.5047,3.7288,1.6829;1.328,-3.4966,1.4968;1.3662,3.4025,-1.6208;-.0651,-3.6614,4.027;-1.1402,.1533,-2.3875;-4.2983,-1.3726,1.2227;1.3674,-4.0649,-1.7385;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">29</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">29</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96091032</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01575869</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">0.00375820</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">0.01575869</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00375820</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.12429154</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">0.01862606</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 y3="-2.432761"
                                 z3="2.791718"/>
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                                 y3="-3.832148"
                                 z3="-0.294185"/>
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                                 z3="2.803008"/>
                           <atom elementType="Ta"
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                                 x3="2.40321"
                                 y3="-2.62583"
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                                 x3="2.452507"
                                 y3="2.775578"
                                 z3="0.045684"/>
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                                 x3="-2.385562"
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                                 x3="-3.549031"
                                 y3="4.052818"
                                 z3="-0.157478"/>
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                                 x3="-2.63336"
                                 y3="0.050464"
                                 z3="2.469966"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.782027"
                                 y3="-0.052281"
                                 z3="2.476695"/>
                           <atom elementType="W"
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                                 x3="2.845625"
                                 y3="0.427228"
                                 z3="-2.407359"/>
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                                 x3="0.895058"
                                 y3="-0.962524"
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                           <atom elementType="O"
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                                 y3="0.985547"
                                 z3="-1.004871"/>
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                                 y3="1.048905"
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                                 y3="-0.96462"
                                 z3="0.949922"/>
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                                 id="a18"
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                                 y3="-1.093569"
                                 z3="-1.383633"/>
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                                 y3="0.209072"
                                 z3="3.617431"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.136626"
                                 y3="1.3500"
                                 z3="1.14493"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.243089"
                                 y3="3.650832"
                                 z3="4.118881"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.339616"
                                 y3="1.185189"
                                 z3="3.169791"/>
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                                 id="a23"
                                 x3="-1.02626"
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                                 z3="-3.074793"/>
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                                 x3="-1.351778"
                                 y3="-1.432398"
                                 z3="2.700972"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.317961"
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                                 z3="-1.204848"/>
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                                 id="a26"
                                 x3="-0.313379"
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                                 z3="-3.884422"/>
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                                 id="a27"
                                 x3="1.088191"
                                 y3="3.214263"
                                 z3="1.279305"/>
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                                 id="a28"
                                 x3="1.057137"
                                 y3="-3.233035"
                                 z3="-1.33432"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.440407"
                                 y3="-1.505947"
                                 z3="1.33813"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.944516"
                                 y3="-0.03092"
                                 z3="-3.68847"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.663718"
                                 y3="1.75645"
                                 z3="-1.507006"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.448585"
                                 y3="1.707552"
                                 z3="1.317385"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.721753"
                                 y3="-1.452217"
                                 z3="3.591781"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.559348"
                                 y3="1.346799"
                                 z3="-3.433356"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.553887"
                                 y3="1.467173"
                                 z3="3.382242"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.117153"
                                 y3="-0.050268"
                                 z3="-0.109252"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.871995"
                                 y3="-0.231227"
                                 z3="3.720144"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.492294"
                                 y3="3.720731"
                                 z3="1.687184"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.339295"
                                 y3="-3.486633"
                                 z3="1.486019"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.355944"
                                 y3="3.401842"
                                 z3="-1.622068"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.072559"
                                 y3="-3.675648"
                                 z3="4.017044"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.015915"
                                 y3="0.086616"
                                 z3="-2.42568"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.341936"
                                 y3="-1.350227"
                                 z3="1.263115"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.389529"
                                 y3="-4.053299"
                                 z3="-1.745774"/>
                        </atomArray>
                        <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="a3 a15" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
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                  </module>
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               <module cmlx:templateRef="geometry.cycle">
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">30</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96019006</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01601880</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">0.00483844</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">0.01601880</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00483844</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02536853</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">0.00473630</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 y3="-2.429956"
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                                 y3="-2.62802"
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                                 x3="2.454604"
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                                 x3="-2.387685"
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                                 x3="-2.628271"
                                 y3="0.04848"
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                                 id="a11"
                                 x3="2.786098"
                                 y3="-0.054155"
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                                 x3="2.848036"
                                 y3="0.424502"
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                                 x3="0.896618"
                                 y3="-0.962386"
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                                 x3="1.340987"
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                           <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"/>
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                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
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                           <bond atomRefs2="a10 a35" order="S"/>
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                           <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"/>
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                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
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                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">31</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96124266</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01441652</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">0.00335532</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">0.01441652</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00335532</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03171460</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">0.00473599</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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                                 z3="2.806485"/>
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                                 y3="2.777694"
                                 z3="0.041959"/>
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                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
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                           <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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.3445,-2.4299,2.8042;3.6558,-3.847,-.3002;.0483,2.3934,-2.5438;.0058,2.4731,2.8102;2.4003,-2.633,.0489;2.4534,2.7768,.0399;-2.3875,2.8803,.3854;3.6064,4.1244,.2342;-3.5612,4.0546,-.1597;-2.6132,.0444,2.4481;2.7916,-.053,2.4859;2.8513,.4145,-2.4139;.8949,-.9699,.9449;-1.0689,-.8986,-1.1787;.9927,.987,-.9978;-.998,1.0488,.9074;-3.4748,-.9776,.9303;2.7615,-1.1028,-1.3888;4.143,.2039,3.6254;3.1455,1.3477,1.1475;.2294,3.6605,4.1298;1.3407,1.185,3.1766;-1.038,.8885,-3.0551;-1.3284,-1.4169,2.6951;-1.3211,2.8062,-1.213;-.3243,3.4516,-3.8779;1.0833,3.2192,1.2798;1.0418,-3.2226,-1.3257;3.4358,-1.5105,1.3392;3.9689,-.0374,-3.6797;3.6579,1.7497,-1.5073;-3.4492,1.6967,1.2949;1.7277,-1.4488,3.6031;1.5588,1.3388,-3.4381;-1.5695,1.4594,3.3973;-.1061,-.0512,-.1059;-3.854,-.2423,3.692;-1.496,3.7238,1.6904;1.3289,-3.4886,1.4957;1.3589,3.3966,-1.6294;-.0713,-3.6691,4.0305;-1.0818,.1044,-2.3898;-4.3125,-1.3693,1.2413;1.3626,-4.0422,-1.7475;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">33</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">33</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96245186</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00673052</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">0.00183051</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">0.00673052</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00183051</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02967214</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">0.00630743</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="Ta"
                                 id="a1"
                                 x3="0.351041"
                                 y3="-2.436269"
                                 z3="2.809658"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.658853"
                                 y3="-3.847558"
                                 z3="-0.303914"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.045333"
                                 y3="2.390979"
                                 z3="-2.54961"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="0.001884"
                                 y3="2.47085"
                                 z3="2.812464"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.404426"
                                 y3="-2.633437"
                                 z3="0.048456"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.446413"
                                 y3="2.773164"
                                 z3="0.044639"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.383329"
                                 y3="2.884946"
                                 z3="0.384545"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.599924"
                                 y3="4.121383"
                                 z3="0.235309"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.556521"
                                 y3="4.066662"
                                 z3="-0.147196"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.610484"
                                 y3="0.043694"
                                 z3="2.445633"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.789835"
                                 y3="-0.048817"
                                 z3="2.4901"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.849424"
                                 y3="0.415008"
                                 z3="-2.418992"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.89139"
                                 y3="-0.977731"
                                 z3="0.941414"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.074423"
                                 y3="-0.892531"
                                 z3="-1.178187"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.991951"
                                 y3="0.988671"
                                 z3="-0.993622"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.997443"
                                 y3="1.047139"
                                 z3="0.9096"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.479233"
                                 y3="-0.982285"
                                 z3="0.93398"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.759658"
                                 y3="-1.100878"
                                 z3="-1.390424"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.145003"
                                 y3="0.209044"
                                 z3="3.62397"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.140353"
                                 y3="1.34816"
                                 z3="1.15047"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.230427"
                                 y3="3.65765"
                                 z3="4.129671"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.337185"
                                 y3="1.181764"
                                 z3="3.176922"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.049439"
                                 y3="0.898092"
                                 z3="-3.058803"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.319548"
                                 y3="-1.413847"
                                 z3="2.694004"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.320287"
                                 y3="2.816142"
                                 z3="-1.211601"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.313791"
                                 y3="3.444658"
                                 z3="-3.890074"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.083458"
                                 y3="3.213639"
                                 z3="1.283655"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.035467"
                                 y3="-3.218761"
                                 z3="-1.316617"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.429705"
                                 y3="-1.508095"
                                 z3="1.340412"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.983137"
                                 y3="-0.025355"
                                 z3="-3.674188"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.644645"
                                 y3="1.749326"
                                 z3="-1.505045"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.44431"
                                 y3="1.695743"
                                 z3="1.285855"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.730546"
                                 y3="-1.451474"
                                 z3="3.607008"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.554248"
                                 y3="1.334277"
                                 z3="-3.441672"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.563417"
                                 y3="1.466128"
                                 z3="3.387978"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.105988"
                                 y3="-0.052381"
                                 z3="-0.103299"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.852008"
                                 y3="-0.238673"
                                 z3="3.691146"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.490797"
                                 y3="3.716924"
                                 z3="1.693119"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.334721"
                                 y3="-3.487584"
                                 z3="1.495791"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.351288"
                                 y3="3.393317"
                                 z3="-1.628151"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.071899"
                                 y3="-3.675276"
                                 z3="4.034538"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.059363"
                                 y3="0.086767"
                                 z3="-2.419472"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.317638"
                                 y3="-1.36803"
                                 z3="1.250822"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.353101"
                                 y3="-4.036443"
                                 z3="-1.744691"/>
                        </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="a3 a15" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.351,-2.4363,2.8097;3.6589,-3.8476,-.3039;.0453,2.391,-2.5496;.0019,2.4708,2.8125;2.4044,-2.6334,.0485;2.4464,2.7732,.0446;-2.3833,2.8849,.3845;3.5999,4.1214,.2353;-3.5565,4.0667,-.1472;-2.6105,.0437,2.4456;2.7898,-.0488,2.4901;2.8494,.415,-2.419;.8914,-.9777,.9414;-1.0744,-.8925,-1.1782;.992,.9887,-.9936;-.9974,1.0471,.9096;-3.4792,-.9823,.934;2.7597,-1.1009,-1.3904;4.145,.209,3.624;3.1404,1.3482,1.1505;.2304,3.6576,4.1297;1.3372,1.1818,3.1769;-1.0494,.8981,-3.0588;-1.3195,-1.4138,2.694;-1.3203,2.8161,-1.2116;-.3138,3.4447,-3.8901;1.0835,3.2136,1.2837;1.0355,-3.2188,-1.3166;3.4297,-1.5081,1.3404;3.9831,-.0254,-3.6742;3.6446,1.7493,-1.505;-3.4443,1.6957,1.2859;1.7305,-1.4515,3.607;1.5542,1.3343,-3.4417;-1.5634,1.4661,3.388;-.106,-.0524,-.1033;-3.852,-.2387,3.6911;-1.4908,3.7169,1.6931;1.3347,-3.4876,1.4958;1.3513,3.3933,-1.6282;-.0719,-3.6753,4.0345;-1.0594,.0868,-2.4195;-4.3176,-1.368,1.2508;1.3531,-4.0364,-1.7447;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">34</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">34</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96232579</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01125924</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">0.00260377</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">0.01125924</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00260377</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06110008</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">0.01000621</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="Ta"
                                 id="a1"
                                 x3="0.352829"
                                 y3="-2.436931"
                                 z3="2.813988"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.657498"
                                 y3="-3.854802"
                                 z3="-0.305985"/>
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                                 id="a3"
                                 x3="0.047211"
                                 y3="2.387853"
                                 z3="-2.557781"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.001811"
                                 y3="2.473794"
                                 z3="2.814919"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.405743"
                                 y3="-2.638067"
                                 z3="0.04644"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.447797"
                                 y3="2.773603"
                                 z3="0.04144"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.38156"
                                 y3="2.891327"
                                 z3="0.377771"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.600417"
                                 y3="4.123846"
                                 z3="0.22789"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.559074"
                                 y3="4.073615"
                                 z3="-0.144207"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.600388"
                                 y3="0.041869"
                                 z3="2.429056"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.792167"
                                 y3="-0.048024"
                                 z3="2.492186"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.85381"
                                 y3="0.40874"
                                 z3="-2.421397"/>
                           <atom elementType="O"
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                                 x3="0.890438"
                                 y3="-0.983735"
                                 z3="0.937194"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.072497"
                                 y3="-0.887983"
                                 z3="-1.183162"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.995604"
                                 y3="0.990594"
                                 z3="-0.987672"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.9938"
                                 y3="1.046935"
                                 z3="0.907861"/>
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                                 id="a17"
                                 x3="-3.461579"
                                 y3="-0.98712"
                                 z3="0.915889"/>
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                                 x3="2.763463"
                                 y3="-1.106025"
                                 z3="-1.392393"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.148525"
                                 y3="0.209503"
                                 z3="3.624927"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.1458"
                                 y3="1.347809"
                                 z3="1.149915"/>
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                                 x3="0.226133"
                                 y3="3.661396"
                                 z3="4.132268"/>
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                                 id="a22"
                                 x3="1.335809"
                                 y3="1.181669"
                                 z3="3.1782"/>
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                                 x3="-1.311998"
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                                 x3="-1.319416"
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                                 x3="-0.330864"
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                                 z3="-3.884135"/>
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                                 x3="1.084271"
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                                 z3="1.284612"/>
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                                 x3="1.0305"
                                 y3="-3.219366"
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                                 x3="3.42725"
                                 y3="-1.509627"
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                                 x3="-3.443648"
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                                 z3="1.268494"/>
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                                 id="a33"
                                 x3="1.733088"
                                 y3="-1.449835"
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                                 id="a34"
                                 x3="1.553551"
                                 y3="1.323658"
                                 z3="-3.444558"/>
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                                 x3="-1.576074"
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                                 x3="-3.84827"
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                                 z3="3.667807"/>
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                                 id="a38"
                                 x3="-1.48998"
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                                 z3="1.694539"/>
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                                 id="a39"
                                 x3="1.33446"
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                                 id="a40"
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                                 z3="-1.631782"/>
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                                 x3="1.342787"
                                 y3="-4.036902"
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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="a3 a15" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.3528,-2.4369,2.814;3.6575,-3.8548,-.306;.0472,2.3879,-2.5578;-.0018,2.4738,2.8149;2.4057,-2.6381,.0464;2.4478,2.7736,.0414;-2.3816,2.8913,.3778;3.6004,4.1238,.2279;-3.5591,4.0736,-.1442;-2.6004,.0419,2.4291;2.7922,-.048,2.4922;2.8538,.4087,-2.4214;.8904,-.9837,.9372;-1.0725,-.888,-1.1832;.9956,.9906,-.9877;-.9938,1.0469,.9079;-3.4616,-.9871,.9159;2.7635,-1.106,-1.3924;4.1485,.2095,3.6249;3.1458,1.3478,1.1499;.2261,3.6614,4.1323;1.3358,1.1817,3.1782;-1.0557,.8964,-3.0326;-1.312,-1.411,2.6944;-1.3194,2.8276,-1.2156;-.3309,3.4533,-3.8841;1.0843,3.214,1.2846;1.0305,-3.2194,-1.3111;3.4272,-1.5096,1.3401;3.9994,-.0253,-3.6675;3.6419,1.746,-1.5054;-3.4436,1.6924,1.2685;1.7331,-1.4498,3.6085;1.5536,1.3237,-3.4446;-1.5761,1.4612,3.3977;-.1013,-.0524,-.1054;-3.8483,-.2408,3.6678;-1.49,3.7185,1.6945;1.3345,-3.4901,1.5009;1.3514,3.39,-1.6318;-.0681,-3.6733,4.0412;-1.1131,.1109,-2.3584;-4.2992,-1.3766,1.2298;1.3428,-4.0369,-1.7433;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">35</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">35</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96303201</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00529467</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">0.00150878</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">0.00529467</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00150878</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07522015</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">0.01297964</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="Ta"
                                 id="a1"
                                 x3="0.348099"
                                 y3="-2.430249"
                                 z3="2.804338"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.655012"
                                 y3="-3.848383"
                                 z3="-0.303227"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.045625"
                                 y3="2.390304"
                                 z3="-2.540709"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="0.003095"
                                 y3="2.471421"
                                 z3="2.814273"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.401716"
                                 y3="-2.632741"
                                 z3="0.049859"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.451258"
                                 y3="2.776152"
                                 z3="0.044083"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.388329"
                                 y3="2.881032"
                                 z3="0.389447"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.605091"
                                 y3="4.125071"
                                 z3="0.232128"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.560796"
                                 y3="4.058766"
                                 z3="-0.150545"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.617214"
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                                 z3="2.452038"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.793427"
                                 y3="-0.049606"
                                 z3="2.488225"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.846427"
                                 y3="0.416545"
                                 z3="-2.416459"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.893857"
                                 y3="-0.972714"
                                 z3="0.942011"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.07082"
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                                 z3="-1.179109"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.991809"
                                 y3="0.990613"
                                 z3="-0.990251"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.002445"
                                 y3="1.044764"
                                 z3="0.915013"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.478795"
                                 y3="-0.97951"
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                           <atom elementType="O"
                                 id="a18"
                                 x3="2.758982"
                                 y3="-1.101465"
                                 z3="-1.390407"/>
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                                 x3="4.147127"
                                 y3="0.207157"
                                 z3="3.624512"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.14888"
                                 y3="1.349194"
                                 z3="1.149771"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.232136"
                                 y3="3.660781"
                                 z3="4.131122"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.340822"
                                 y3="1.182615"
                                 z3="3.177151"/>
                           <atom elementType="O"
                                 id="a23"
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                                 z3="-3.059968"/>
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                                 id="a24"
                                 x3="-1.315133"
                                 y3="-1.403482"
                                 z3="2.684152"/>
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                                 id="a25"
                                 x3="-1.323009"
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                                 z3="-1.207801"/>
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                                 x3="-0.310794"
                                 y3="3.437881"
                                 z3="-3.88721"/>
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                                 y3="3.217709"
                                 z3="1.285317"/>
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                                 x3="1.036929"
                                 y3="-3.22208"
                                 z3="-1.320305"/>
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                                 x3="3.4362"
                                 y3="-1.510539"
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                                 x3="3.967844"
                                 y3="-0.027526"
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                                 id="a31"
                                 x3="3.653346"
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                                 id="a32"
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                                 id="a33"
                                 x3="1.728048"
                                 y3="-1.449612"
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                                 id="a34"
                                 x3="1.551731"
                                 y3="1.333128"
                                 z3="-3.436858"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.569125"
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                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.109346"
                                 y3="-0.050008"
                                 z3="-0.102646"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.862858"
                                 y3="-0.237866"
                                 z3="3.692932"/>
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                                 id="a38"
                                 x3="-1.494398"
                                 y3="3.72182"
                                 z3="1.694429"/>
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                                 x3="1.333783"
                                 y3="-3.488994"
                                 z3="1.496514"/>
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                                 x3="1.355084"
                                 y3="3.395827"
                                 z3="-1.626751"/>
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                                 x3="-0.075899"
                                 y3="-3.669896"
                                 z3="4.027659"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.037918"
                                 y3="0.081419"
                                 z3="-2.425518"/>
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                                 id="a43"
                                 x3="-4.321936"
                                 y3="-1.359784"
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                           <atom elementType="H"
                                 id="a44"
                                 x3="1.359446"
                                 y3="-4.035077"
                                 z3="-1.753206"/>
                        </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="a3 a15" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.3481,-2.4302,2.8043;3.655,-3.8484,-.3032;.0456,2.3903,-2.5407;.0031,2.4714,2.8143;2.4017,-2.6327,.0499;2.4513,2.7762,.0441;-2.3883,2.881,.3894;3.6051,4.1251,.2321;-3.5608,4.0588,-.1505;-2.6172,.0421,2.452;2.7934,-.0496,2.4882;2.8464,.4165,-2.4165;.8939,-.9727,.942;-1.0708,-.8942,-1.1791;.9918,.9906,-.9903;-1.0024,1.0448,.915;-3.4788,-.9795,.9361;2.759,-1.1015,-1.3904;4.1471,.2072,3.6245;3.1489,1.3492,1.1498;.2321,3.6608,4.1311;1.3408,1.1826,3.1772;-1.0473,.8925,-3.06;-1.3151,-1.4035,2.6842;-1.323,2.8012,-1.2078;-.3108,3.4379,-3.8872;1.0853,3.2177,1.2853;1.0369,-3.2221,-1.3203;3.4362,-1.5105,1.3403;3.9678,-.0275,-3.6823;3.6533,1.7482,-1.508;-3.4514,1.6932,1.2929;1.728,-1.4496,3.6039;1.5517,1.3331,-3.4369;-1.5691,1.4629,3.3917;-.1093,-.05,-.1026;-3.8629,-.2379,3.6929;-1.4944,3.7218,1.6944;1.3338,-3.489,1.4965;1.3551,3.3958,-1.6268;-.0759,-3.6699,4.0277;-1.0379,.0814,-2.4255;-4.3219,-1.3598,1.247;1.3594,-4.0351,-1.7532;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">36</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">36</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96223233</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00713318</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">0.00209112</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">0.00713318</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00209112</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03790657</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">0.00686840</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 y3="-2.427625"
                                 z3="2.808802"/>
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                                 y3="-3.855218"
                                 z3="-0.302858"/>
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                                 z3="2.815782"/>
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                                 x3="2.400864"
                                 y3="-2.636848"
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                                 y3="2.776873"
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                                 x3="-3.567476"
                                 y3="4.060554"
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                                 z3="2.440388"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.798325"
                                 y3="-0.04971"
                                 z3="2.491095"/>
                           <atom elementType="W"
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                                 y3="0.410122"
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                                 y3="-0.975248"
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                           <atom elementType="O"
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                                 y3="-0.898249"
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                                 y3="0.991185"
                                 z3="-0.987397"/>
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                                 y3="1.044893"
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                           <atom elementType="O"
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                                 y3="-0.982483"
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                           <atom elementType="O"
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                                 y3="-1.10729"
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                           <atom elementType="O"
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                                 y3="0.205415"
                                 z3="3.628466"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.153563"
                                 y3="1.348986"
                                 z3="1.150541"/>
                           <atom elementType="O"
                                 id="a21"
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                                 y3="3.661182"
                                 z3="4.133509"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.342065"
                                 y3="1.184143"
                                 z3="3.178489"/>
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                                 id="a23"
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                                 x3="-1.307067"
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                                 z3="2.677834"/>
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                                 id="a26"
                                 x3="-0.3228"
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                                 z3="-3.878364"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.083989"
                                 y3="3.219626"
                                 z3="1.284272"/>
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                                 id="a28"
                                 x3="1.033861"
                                 y3="-3.221842"
                                 z3="-1.316946"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.435065"
                                 y3="-1.511955"
                                 z3="1.340559"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.974788"
                                 y3="-0.033381"
                                 z3="-3.679312"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.652163"
                                 y3="1.743736"
                                 z3="-1.507906"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.451871"
                                 y3="1.690968"
                                 z3="1.284015"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.730058"
                                 y3="-1.446062"
                                 z3="3.607592"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.550897"
                                 y3="1.32881"
                                 z3="-3.436584"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.575595"
                                 y3="1.457851"
                                 z3="3.399587"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.10403"
                                 y3="-0.050548"
                                 z3="-0.103755"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.854315"
                                 y3="-0.243246"
                                 z3="3.680448"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.496673"
                                 y3="3.723385"
                                 z3="1.694072"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.329786"
                                 y3="-3.490175"
                                 z3="1.501622"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.357793"
                                 y3="3.392519"
                                 z3="-1.629443"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.07456"
                                 y3="-3.665626"
                                 z3="4.033338"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.075825"
                                 y3="0.094669"
                                 z3="-2.392195"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.311302"
                                 y3="-1.36373"
                                 z3="1.231643"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.354693"
                                 y3="-4.032976"
                                 z3="-1.754626"/>
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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="a3 a15" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">37</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96273692</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00504888</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
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                     <list cmlx:templateRef="cstepmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                  <module cmlx:templateRef="coordinates">
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                        </bondArray>
                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
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                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
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                  <module cmlx:templateRef="convergence">
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                     </list>
                     <list cmlx:templateRef="energy">
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                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00958359</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cgradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                  <module cmlx:templateRef="coordinates">
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                        <property dictRef="cml:molmass">
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                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
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                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3581,-2.4376,2.8196;3.6589,-3.8546,-.3098;.053,2.3814,-2.5683;-.0056,2.4686,2.8194;2.4055,-2.6387,.0434;2.4399,2.7765,.0489;-2.3744,2.8915,.3775;3.5873,4.1344,.2288;-3.5527,4.0779,-.1266;-2.5938,.0356,2.4256;2.7936,-.0449,2.4944;2.8539,.4108,-2.4224;.8852,-.9901,.933;-1.1133,-.8708,-1.1628;.9928,.9912,-.9795;-.9945,1.0408,.9154;-3.4689,-.9925,.9199;2.7631,-1.1035,-1.3948;4.151,.2093,3.6269;3.1478,1.3537,1.1566;.2266,3.6592,4.1381;1.334,1.1787,3.179;-1.0339,.8853,-3.0416;-1.309,-1.4191,2.6902;-1.3159,2.8222,-1.2172;-.317,3.4497,-3.8954;1.0825,3.2075,1.293;1.0218,-3.2202,-1.3012;3.4238,-1.5049,1.3355;4.0023,-.0126,-3.6702;3.6317,1.7433,-1.4972;-3.4385,1.6886,1.263;1.7335,-1.4465,3.6109;1.5472,1.3172,-3.4546;-1.5535,1.4662,3.3823;-.1045,-.0536,-.1025;-3.853,-.2354,3.6542;-1.483,3.7132,1.6938;1.3446,-3.4821,1.5055;1.3458,3.3857,-1.6313;-.0591,-3.6753,4.0485;-1.1015,.0831,-2.3761;-4.3207,-1.3504,1.2335;1.3426,-4.0201,-1.7595;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">40</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">40</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96223380</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02208012</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">0.00399672</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">0.02208012</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00399672</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02795149</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">0.00634525</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="Ta"
                                 id="a1"
                                 x3="0.356657"
                                 y3="-2.437048"
                                 z3="2.816341"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.662056"
                                 y3="-3.855089"
                                 z3="-0.305698"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.048906"
                                 y3="2.382813"
                                 z3="-2.560114"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.003184"
                                 y3="2.471312"
                                 z3="2.819357"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.408789"
                                 y3="-2.639475"
                                 z3="0.047166"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.445042"
                                 y3="2.773928"
                                 z3="0.044882"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.379697"
                                 y3="2.895897"
                                 z3="0.37873"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.595068"
                                 y3="4.128482"
                                 z3="0.223873"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.55697"
                                 y3="4.082836"
                                 z3="-0.130801"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.598577"
                                 y3="0.039241"
                                 z3="2.423562"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.795744"
                                 y3="-0.043436"
                                 z3="2.493822"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.851286"
                                 y3="0.406773"
                                 z3="-2.424391"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.88825"
                                 y3="-0.991144"
                                 z3="0.931829"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.0853"
                                 y3="-0.881182"
                                 z3="-1.18039"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.994566"
                                 y3="0.994307"
                                 z3="-0.976249"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.997791"
                                 y3="1.038416"
                                 z3="0.91553"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.461531"
                                 y3="-0.988002"
                                 z3="0.911648"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.76302"
                                 y3="-1.10874"
                                 z3="-1.396684"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.152184"
                                 y3="0.212726"
                                 z3="3.626733"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.152611"
                                 y3="1.352486"
                                 z3="1.153442"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.228835"
                                 y3="3.660302"
                                 z3="4.135703"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.33717"
                                 y3="1.181026"
                                 z3="3.178853"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.053298"
                                 y3="0.891458"
                                 z3="-3.033499"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.311814"
                                 y3="-1.41643"
                                 z3="2.687216"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.320903"
                                 y3="2.823101"
                                 z3="-1.214667"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.331456"
                                 y3="3.450844"
                                 z3="-3.883819"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.086425"
                                 y3="3.21036"
                                 z3="1.290508"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.029185"
                                 y3="-3.227721"
                                 z3="-1.301894"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.428291"
                                 y3="-1.505875"
                                 z3="1.338899"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.999966"
                                 y3="-0.017219"
                                 z3="-3.671453"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.637391"
                                 y3="1.740108"
                                 z3="-1.504494"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.44279"
                                 y3="1.69311"
                                 z3="1.262742"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.734095"
                                 y3="-1.446035"
                                 z3="3.60759"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.545163"
                                 y3="1.314036"
                                 z3="-3.447192"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.575253"
                                 y3="1.460888"
                                 z3="3.398234"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.104631"
                                 y3="-0.054384"
                                 z3="-0.103971"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.857794"
                                 y3="-0.234644"
                                 z3="3.653184"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.483968"
                                 y3="3.716966"
                                 z3="1.696258"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.346386"
                                 y3="-3.489599"
                                 z3="1.50843"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.348833"
                                 y3="3.387129"
                                 z3="-1.630515"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.062469"
                                 y3="-3.672906"
                                 z3="4.045247"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.111634"
                                 y3="0.101255"
                                 z3="-2.361863"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.313204"
                                 y3="-1.351773"
                                 z3="1.218594"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.349846"
                                 y3="-4.030398"
                                 z3="-1.755083"/>
                        </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="a3 a15" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.3567,-2.437,2.8163;3.6621,-3.8551,-.3057;.0489,2.3828,-2.5601;-.0032,2.4713,2.8194;2.4088,-2.6395,.0472;2.445,2.7739,.0449;-2.3797,2.8959,.3787;3.5951,4.1285,.2239;-3.557,4.0828,-.1308;-2.5986,.0392,2.4236;2.7957,-.0434,2.4938;2.8513,.4068,-2.4244;.8882,-.9911,.9318;-1.0853,-.8812,-1.1804;.9946,.9943,-.9762;-.9978,1.0384,.9155;-3.4615,-.988,.9116;2.763,-1.1087,-1.3967;4.1522,.2127,3.6267;3.1526,1.3525,1.1534;.2288,3.6603,4.1357;1.3372,1.181,3.1789;-1.0533,.8915,-3.0335;-1.3118,-1.4164,2.6872;-1.3209,2.8231,-1.2147;-.3315,3.4508,-3.8838;1.0864,3.2104,1.2905;1.0292,-3.2277,-1.3019;3.4283,-1.5059,1.3389;4,-.0172,-3.6715;3.6374,1.7401,-1.5045;-3.4428,1.6931,1.2627;1.7341,-1.446,3.6076;1.5452,1.314,-3.4472;-1.5753,1.4609,3.3982;-.1046,-.0544,-.104;-3.8578,-.2346,3.6532;-1.484,3.717,1.6963;1.3464,-3.4896,1.5084;1.3488,3.3871,-1.6305;-.0625,-3.6729,4.0452;-1.1116,.1013,-2.3619;-4.3132,-1.3518,1.2186;1.3498,-4.0304,-1.7551;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">41</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">41</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96325302</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00465041</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">0.00150639</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">0.00465041</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00150639</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02737064</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">0.00490914</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="Ta"
                                 id="a1"
                                 x3="0.35692"
                                 y3="-2.436411"
                                 z3="2.818449"/>
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                                 x3="3.661269"
                                 y3="-3.858454"
                                 z3="-0.305079"/>
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                                 x3="0.048529"
                                 y3="2.384111"
                                 z3="-2.56223"/>
                           <atom elementType="Ta"
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                                 x3="-0.004788"
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                                 z3="2.821877"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.409898"
                                 y3="-2.641308"
                                 z3="0.047855"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.445416"
                                 y3="2.773104"
                                 z3="0.042615"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.380866"
                                 y3="2.899434"
                                 z3="0.376041"/>
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                                 x3="3.596191"
                                 y3="4.126886"
                                 z3="0.217303"/>
                           <atom elementType="O"
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                                 x3="-3.561519"
                                 y3="4.085596"
                                 z3="-0.130681"/>
                           <atom elementType="Ta"
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                                 x3="-2.593558"
                                 y3="0.037928"
                                 z3="2.4169"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.798804"
                                 y3="-0.042702"
                                 z3="2.497182"/>
                           <atom elementType="W"
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                                 x3="2.850449"
                                 y3="0.400739"
                                 z3="-2.427154"/>
                           <atom elementType="O"
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                                 x3="0.889437"
                                 y3="-0.994916"
                                 z3="0.930225"/>
                           <atom elementType="O"
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                                 x3="-1.072789"
                                 y3="-0.886112"
                                 z3="-1.184887"/>
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                                 x3="0.994623"
                                 y3="0.996722"
                                 z3="-0.972034"/>
                           <atom elementType="O"
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                                 x3="-0.996303"
                                 y3="1.037008"
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                                 y3="-0.99301"
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                                 x3="2.763507"
                                 y3="-1.112902"
                                 z3="-1.398861"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.1558"
                                 y3="0.212507"
                                 z3="3.629502"/>
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                                 x3="3.156767"
                                 y3="1.35174"
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                                 x3="0.22629"
                                 y3="3.66169"
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                                 x3="1.337531"
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                                 x3="-0.33395"
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                                 x3="1.086829"
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                                 id="a28"
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                                 y3="-3.226763"
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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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3569,-2.4364,2.8184;3.6613,-3.8585,-.3051;.0485,2.3841,-2.5622;-.0048,2.4728,2.8219;2.4099,-2.6413,.0479;2.4454,2.7731,.0426;-2.3809,2.8994,.376;3.5962,4.1269,.2173;-3.5615,4.0856,-.1307;-2.5936,.0379,2.4169;2.7988,-.0427,2.4972;2.8504,.4007,-2.4272;.8894,-.9949,.9302;-1.0728,-.8861,-1.1849;.9946,.9967,-.972;-.9963,1.037,.9161;-3.451,-.993,.9052;2.7635,-1.1129,-1.3989;4.1558,.2125,3.6295;3.1568,1.3517,1.154;.2263,3.6617,4.1375;1.3375,1.181,3.1808;-1.0636,.8972,-3.0224;-1.3032,-1.4085,2.685;-1.3221,2.8292,-1.2154;-.334,3.4596,-3.8786;1.0868,3.2119,1.2916;1.0286,-3.2268,-1.2988;3.428,-1.5069,1.3415;4.0043,-.0227,-3.6687;3.6356,1.7355,-1.507;-3.4435,1.69,1.2535;1.7357,-1.4454,3.6108;1.54,1.3088,-3.4473;-1.5832,1.4595,3.4036;-.1009,-.0545,-.1041;-3.8564,-.2382,3.6427;-1.4843,3.7178,1.6976;1.3462,-3.4909,1.5123;1.3498,3.3859,-1.6326;-.065,-3.6708,4.0471;-1.139,.1122,-2.3465;-4.3056,-1.3532,1.2077;1.3488,-4.0267,-1.7571;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">42</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">42</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96326498</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00689461</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">0.00164661</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">0.00689461</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00164661</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02253099</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">0.00486608</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="Ta"
                                 id="a1"
                                 x3="0.356784"
                                 y3="-2.43926"
                                 z3="2.815718"/>
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                                 id="a2"
                                 x3="3.667628"
                                 y3="-3.855079"
                                 z3="-0.303259"/>
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                                 y3="2.384269"
                                 z3="-2.558362"/>
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                                 x3="-0.004817"
                                 y3="2.473575"
                                 z3="2.821193"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.414083"
                                 y3="-2.640263"
                                 z3="0.050565"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.446383"
                                 y3="2.769417"
                                 z3="0.04065"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.383697"
                                 y3="2.902367"
                                 z3="0.375024"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.598666"
                                 y3="4.121753"
                                 z3="0.212881"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.56216"
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                                 z3="-0.131052"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.5979"
                                 y3="0.04047"
                                 z3="2.416468"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.798373"
                                 y3="-0.040203"
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                           <atom elementType="W"
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                                 x3="2.847815"
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                                 z3="-2.430994"/>
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                                 id="a13"
                                 x3="0.890086"
                                 y3="-1.000396"
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                           <atom elementType="O"
                                 id="a14"
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                           <atom elementType="O"
                                 id="a15"
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                                 y3="1.001137"
                                 z3="-0.967223"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.999156"
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                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.447224"
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                           <atom elementType="O"
                                 id="a18"
                                 x3="2.762634"
                                 y3="-1.115127"
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                                 y3="0.216356"
                                 z3="3.627672"/>
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                                 x3="3.158685"
                                 y3="1.351468"
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                           <atom elementType="O"
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                                 y3="3.662177"
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                                 id="a22"
                                 x3="1.337529"
                                 y3="1.180995"
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                           <atom elementType="O"
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                                 x3="-1.077033"
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                                 z3="-3.018026"/>
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                                 id="a24"
                                 x3="-1.307067"
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                                 id="a25"
                                 x3="-1.322593"
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                                 z3="-1.21321"/>
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                                 x3="-0.337105"
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                                 id="a27"
                                 x3="1.090423"
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                                 id="a28"
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                                 id="a29"
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                                 y3="-1.505431"
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                                 id="a30"
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                                 id="a31"
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                                 z3="-1.513238"/>
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                                 id="a33"
                                 x3="1.736605"
                                 y3="-1.447658"
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                                 id="a34"
                                 x3="1.535959"
                                 y3="1.304263"
                                 z3="-3.444705"/>
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                                 id="a35"
                                 x3="-1.596999"
                                 y3="1.460136"
                                 z3="3.41032"/>
                           <atom elementType="As"
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                                 id="a37"
                                 x3="-3.863813"
                                 y3="-0.234549"
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                                 x3="-1.147332"
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                                 z3="-2.326249"/>
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                                 x3="-4.307721"
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                                 id="a44"
                                 x3="1.356128"
                                 y3="-4.030944"
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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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3568,-2.4393,2.8157;3.6676,-3.8551,-.3033;.0475,2.3843,-2.5584;-.0048,2.4736,2.8212;2.4141,-2.6403,.0506;2.4464,2.7694,.0406;-2.3837,2.9024,.375;3.5987,4.1218,.2129;-3.5622,4.0918,-.1311;-2.5979,.0405,2.4165;2.7984,-.0402,2.497;2.8478,.398,-2.431;.8901,-1.0004,.9267;-1.0554,-.8963,-1.1937;.997,1.0011,-.9672;-.9992,1.0316,.9194;-3.4472,-.9939,.9035;2.7626,-1.1151,-1.4012;4.1563,.2164,3.6277;3.1587,1.3515,1.1525;.2289,3.6622,4.1342;1.3375,1.181,3.1798;-1.077,.9006,-3.018;-1.3071,-1.4086,2.6907;-1.3226,2.8274,-1.2132;-.3371,3.458,-3.875;1.0904,3.2115,1.2916;1.0338,-3.2331,-1.2971;3.4302,-1.5054,1.3441;4.0067,-.022,-3.6689;3.6373,1.7328,-1.5132;-3.4441,1.6921,1.2492;1.7366,-1.4477,3.6077;1.536,1.3043,-3.4447;-1.597,1.4601,3.4103;-.1017,-.0561,-.105;-3.8638,-.2345,3.6408;-1.4827,3.7169,1.698;1.3527,-3.4962,1.5137;1.3503,3.3882,-1.6327;-.0664,-3.6725,4.0443;-1.1473,.1347,-2.3262;-4.3077,-1.3455,1.1992;1.3561,-4.0309,-1.7572;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">43</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96330044</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00807263</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">0.00185584</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">0.00807263</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00185584</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02653886</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">0.00495088</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
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                                 y3="-0.040985"
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                                 y3="0.999173"
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                                 y3="1.352562"
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                                 y3="3.661149"
                                 z3="4.133389"/>
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                                 x3="3.430399"
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                           <atom elementType="O"
                                 id="a31"
                                 x3="3.638078"
                                 y3="1.736732"
                                 z3="-1.51015"/>
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                                 x3="-3.443969"
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                                 z3="1.256405"/>
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                                 id="a33"
                                 x3="1.735086"
                                 y3="-1.448043"
                                 z3="3.605964"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.539785"
                                 y3="1.308404"
                                 z3="-3.445733"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.587149"
                                 y3="1.462465"
                                 z3="3.403743"/>
                           <atom elementType="As"
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                                 x3="-0.104783"
                                 y3="-0.055636"
                                 z3="-0.103952"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.864363"
                                 y3="-0.232647"
                                 z3="3.64946"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.482874"
                                 y3="3.716057"
                                 z3="1.696605"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.351555"
                                 y3="-3.494317"
                                 z3="1.509587"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.349262"
                                 y3="3.388886"
                                 z3="-1.630876"/>
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                                 id="a41"
                                 x3="-0.065202"
                                 y3="-3.6740"
                                 z3="4.042173"/>
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                                 id="a42"
                                 x3="-1.120793"
                                 y3="0.120787"
                                 z3="-2.343866"/>
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                                 id="a43"
                                 x3="-4.315411"
                                 y3="-1.345098"
                                 z3="1.211736"/>
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                                 id="a44"
                                 x3="1.354821"
                                 y3="-4.032162"
                                 z3="-1.756994"/>
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                           <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="a3 a15" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">44</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96347084</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00409068</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cgradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
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                     <list cmlx:templateRef="gradrms">
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                     <list cmlx:templateRef="cstepmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                  <module cmlx:templateRef="coordinates">
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                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
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                        </property>
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                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
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                  <module cmlx:templateRef="convergence">
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                     </list>
                     <list cmlx:templateRef="energy">
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                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00460227</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cgradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="gradmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                  </module>
                  <module cmlx:templateRef="coordinates">
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                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
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                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
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                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3594,-2.4369,2.8187;3.6643,-3.8528,-.3062;.0492,2.3787,-2.5601;-.0053,2.4713,2.8261;2.4097,-2.6397,.0512;2.4395,2.7705,.0443;-2.3824,2.902,.3764;3.5898,4.1255,.2133;-3.5598,4.0918,-.1278;-2.5938,.0378,2.4175;2.802,-.0404,2.4981;2.8493,.3996,-2.4301;.8881,-1.0052,.9268;-1.0685,-.8832,-1.1875;.9962,1.0021,-.9631;-.9978,1.0278,.9255;-3.4458,-.9976,.906;2.7588,-1.115,-1.404;4.1606,.2134,3.6286;3.1594,1.354,1.1561;.228,3.6597,4.1415;1.3391,1.1802,3.1817;-1.0694,.8927,-3.0303;-1.2997,-1.4044,2.6918;-1.3233,2.8169,-1.2135;-.3361,3.4528,-3.8766;1.0868,3.2115,1.2971;1.0271,-3.2352,-1.2924;3.4306,-1.5042,1.3418;4.0066,-.0194,-3.6701;3.6358,1.7327,-1.5095;-3.4428,1.6891,1.248;1.7385,-1.446,3.61;1.5346,1.3026,-3.4466;-1.5884,1.461,3.4097;-.1013,-.0553,-.1011;-3.8631,-.2346,3.6382;-1.4814,3.7144,1.6991;1.3534,-3.4956,1.5164;1.3455,3.3875,-1.6325;-.0616,-3.6698,4.0491;-1.1352,.1093,-2.3542;-4.3239,-1.3138,1.1902;1.3607,-4.0168,-1.7721;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">47</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">47</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96358515</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00519157</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">0.00115699</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">0.00519157</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00115699</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01959336</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">0.00280206</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="Ta"
                                 id="a1"
                                 x3="0.360921"
                                 y3="-2.436796"
                                 z3="2.819956"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.6647"
                                 y3="-3.850185"
                                 z3="-0.307441"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.049817"
                                 y3="2.377335"
                                 z3="-2.560496"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.005713"
                                 y3="2.470478"
                                 z3="2.82749"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.408621"
                                 y3="-2.639105"
                                 z3="0.052275"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.436536"
                                 y3="2.769566"
                                 z3="0.044599"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.382921"
                                 y3="2.902442"
                                 z3="0.375712"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.587021"
                                 y3="4.124815"
                                 z3="0.210804"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.559409"
                                 y3="4.09359"
                                 z3="-0.127247"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.592259"
                                 y3="0.036777"
                                 z3="2.417102"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.80366"
                                 y3="-0.039799"
                                 z3="2.498689"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.84911"
                                 y3="0.398461"
                                 z3="-2.431369"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.887238"
                                 y3="-1.00975"
                                 z3="0.925611"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.068402"
                                 y3="-0.886192"
                                 z3="-1.186034"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.996045"
                                 y3="1.003836"
                                 z3="-0.959851"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.997253"
                                 y3="1.023591"
                                 z3="0.928678"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.442213"
                                 y3="-1.001431"
                                 z3="0.906286"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.755877"
                                 y3="-1.116289"
                                 z3="-1.406661"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.162599"
                                 y3="0.213433"
                                 z3="3.628883"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.159767"
                                 y3="1.354913"
                                 z3="1.15699"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.227288"
                                 y3="3.65875"
                                 z3="4.143333"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.339674"
                                 y3="1.179765"
                                 z3="3.182191"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.069941"
                                 y3="0.891661"
                                 z3="-3.030438"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.299265"
                                 y3="-1.404975"
                                 z3="2.696297"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.324196"
                                 y3="2.812963"
                                 z3="-1.213344"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.335592"
                                 y3="3.452631"
                                 z3="-3.875818"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.08629"
                                 y3="3.211592"
                                 z3="1.298998"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.025039"
                                 y3="-3.238041"
                                 z3="-1.288903"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.43122"
                                 y3="-1.502626"
                                 z3="1.341231"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="4.007678"
                                 y3="-0.01954"
                                 z3="-3.670382"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.635006"
                                 y3="1.730841"
                                 z3="-1.509862"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.442126"
                                 y3="1.687691"
                                 z3="1.245356"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.740026"
                                 y3="-1.445762"
                                 z3="3.610611"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.532522"
                                 y3="1.30137"
                                 z3="-3.446842"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.587975"
                                 y3="1.461441"
                                 z3="3.410221"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.101355"
                                 y3="-0.056732"
                                 z3="-0.10048"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.864694"
                                 y3="-0.233431"
                                 z3="3.635192"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.480743"
                                 y3="3.712458"
                                 z3="1.699027"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.356317"
                                 y3="-3.496554"
                                 z3="1.519091"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.344211"
                                 y3="3.387954"
                                 z3="-1.633097"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.058814"
                                 y3="-3.669014"
                                 z3="4.051515"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.134698"
                                 y3="0.110192"
                                 z3="-2.352102"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.331645"
                                 y3="-1.294191"
                                 z3="1.179879"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.365534"
                                 y3="-4.009433"
                                 z3="-1.780051"/>
                        </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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3609,-2.4368,2.82;3.6647,-3.8502,-.3074;.0498,2.3773,-2.5605;-.0057,2.4705,2.8275;2.4086,-2.6391,.0523;2.4365,2.7696,.0446;-2.3829,2.9024,.3757;3.587,4.1248,.2108;-3.5594,4.0936,-.1272;-2.5923,.0368,2.4171;2.8037,-.0398,2.4987;2.8491,.3985,-2.4314;.8872,-1.0097,.9256;-1.0684,-.8862,-1.186;.996,1.0038,-.9599;-.9973,1.0236,.9287;-3.4422,-1.0014,.9063;2.7559,-1.1163,-1.4067;4.1626,.2134,3.6289;3.1598,1.3549,1.157;.2273,3.6587,4.1433;1.3397,1.1798,3.1822;-1.0699,.8917,-3.0304;-1.2993,-1.405,2.6963;-1.3242,2.813,-1.2133;-.3356,3.4526,-3.8758;1.0863,3.2116,1.299;1.025,-3.238,-1.2889;3.4312,-1.5026,1.3412;4.0077,-.0195,-3.6704;3.635,1.7308,-1.5099;-3.4421,1.6877,1.2454;1.74,-1.4458,3.6106;1.5325,1.3014,-3.4468;-1.588,1.4614,3.4102;-.1014,-.0567,-.1005;-3.8647,-.2334,3.6352;-1.4807,3.7125,1.699;1.3563,-3.4966,1.5191;1.3442,3.388,-1.6331;-.0588,-3.669,4.0515;-1.1347,.1102,-2.3521;-4.3316,-1.2942,1.1799;1.3655,-4.0094,-1.7801;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">48</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">48</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96366710</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00499860</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">0.00106379</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">0.00499860</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00106379</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04537471</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">0.00625385</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="Ta"
                                 id="a1"
                                 x3="0.363974"
                                 y3="-2.436444"
                                 z3="2.820346"/>
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                                 y3="-3.843586"
                                 z3="-0.311404"/>
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                                 y3="2.372517"
                                 z3="-2.557933"/>
                           <atom elementType="Ta"
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                                 x3="-0.006604"
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                                 z3="2.82981"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.405334"
                                 y3="-2.637212"
                                 z3="0.055422"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.430663"
                                 y3="2.767172"
                                 z3="0.045604"/>
                           <atom elementType="W"
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                                 x3="-2.385972"
                                 y3="2.90174"
                                 z3="0.375855"/>
                           <atom elementType="O"
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                                 x3="3.58158"
                                 y3="4.122983"
                                 z3="0.206823"/>
                           <atom elementType="O"
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                                 x3="-3.55823"
                                 y3="4.096187"
                                 z3="-0.127667"/>
                           <atom elementType="Ta"
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                                 x3="-2.591386"
                                 y3="0.035566"
                                 z3="2.420523"/>
                           <atom elementType="Ta"
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                                 x3="2.806447"
                                 y3="-0.03933"
                                 z3="2.498818"/>
                           <atom elementType="W"
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                                 x3="2.849329"
                                 y3="0.398703"
                                 z3="-2.432949"/>
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                                 x3="0.885495"
                                 y3="-1.018641"
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                                 x3="-1.066687"
                                 y3="-0.886372"
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                                 x3="0.997569"
                                 y3="1.007901"
                                 z3="-0.953435"/>
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                                 x3="-0.996545"
                                 y3="1.014964"
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                                 x3="2.748713"
                                 y3="-1.117723"
                                 z3="-1.411523"/>
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                                 x3="4.165743"
                                 y3="0.213502"
                                 z3="3.628474"/>
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                                 x3="3.159836"
                                 y3="1.35621"
                                 z3="1.158372"/>
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                                 y3="3.656139"
                                 z3="4.146831"/>
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                                 x3="1.340583"
                                 y3="1.178609"
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                                 x3="1.085181"
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                                 x3="1.019218"
                                 y3="-3.245408"
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                                 y3="-1.446834"
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                                 x3="1.53113"
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                                 x3="-1.481195"
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                                 z3="1.699556"/>
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                                 x3="1.340567"
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                           <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="a3 a15" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.364,-2.4364,2.8203;3.6646,-3.8436,-.3114;.0501,2.3725,-2.5579;-.0066,2.469,2.8298;2.4053,-2.6372,.0554;2.4307,2.7672,.0456;-2.386,2.9017,.3759;3.5816,4.123,.2068;-3.5582,4.0962,-.1277;-2.5914,.0356,2.4205;2.8064,-.0393,2.4988;2.8493,.3987,-2.4329;.8855,-1.0186,.9236;-1.0667,-.8864,-1.1871;.9976,1.0079,-.9534;-.9965,1.015,.9363;-3.4349,-1.0087,.9098;2.7487,-1.1177,-1.4115;4.1657,.2135,3.6285;3.1598,1.3562,1.1584;.2261,3.6561,4.1468;1.3406,1.1786,3.1819;-1.07,.8861,-3.0356;-1.296,-1.4016,2.7058;-1.3267,2.8001,-1.211;-.3363,3.4437,-3.8763;1.0852,3.2127,1.3029;1.0192,-3.2454,-1.2814;3.4339,-1.5002,1.3396;4.0092,-.0173,-3.6719;3.635,1.729,-1.5108;-3.4426,1.6846,1.2439;1.7429,-1.4468,3.6101;1.5311,1.2997,-3.4453;-1.5874,1.4625,3.4118;-.1021,-.0585,-.0988;-3.8691,-.229,3.6349;-1.4812,3.7081,1.6996;1.3622,-3.5004,1.5234;1.3406,3.3898,-1.6331;-.0542,-3.6676,4.0535;-1.1231,.1092,-2.353;-4.3476,-1.2488,1.1566;1.3747,-3.9944,-1.7958;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">49</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">49</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96383322</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00338199</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">0.00077835</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">0.00338199</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00077835</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04446233</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">0.00626559</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="Ta"
                                 id="a1"
                                 x3="0.367314"
                                 y3="-2.436269"
                                 z3="2.822938"/>
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                                 id="a2"
                                 x3="3.664413"
                                 y3="-3.838929"
                                 z3="-0.314415"/>
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                                 z3="-2.557787"/>
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                                 id="a4"
                                 x3="-0.007423"
                                 y3="2.467962"
                                 z3="2.833272"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.402595"
                                 y3="-2.636687"
                                 z3="0.058254"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.424752"
                                 y3="2.765023"
                                 z3="0.04591"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.388015"
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                                 z3="0.375688"/>
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                                 x3="3.576131"
                                 y3="4.121222"
                                 z3="0.201261"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.558121"
                                 y3="4.099891"
                                 z3="-0.126165"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.587035"
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                                 z3="2.420524"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.809773"
                                 y3="-0.038803"
                                 z3="2.500285"/>
                           <atom elementType="W"
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                                 x3="2.849611"
                                 y3="0.396469"
                                 z3="-2.434793"/>
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                                 id="a13"
                                 x3="0.883581"
                                 y3="-1.027811"
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                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.06443"
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                                 id="a15"
                                 x3="0.997777"
                                 y3="1.010808"
                                 z3="-0.947065"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.994307"
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                           <atom elementType="O"
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                                 x3="-3.423397"
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                           <atom elementType="O"
                                 id="a18"
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                                 z3="3.62947"/>
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                                 id="a20"
                                 x3="3.16011"
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                                 y3="3.653867"
                                 z3="4.151702"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.341481"
                                 y3="1.177711"
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                                 x3="-1.071789"
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                                 z3="-3.035948"/>
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                                 x3="-1.292097"
                                 y3="-1.399799"
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                                 x3="-1.330281"
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                                 x3="1.013474"
                                 y3="-3.251824"
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                                 x3="3.633298"
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                                 id="a33"
                                 x3="1.746375"
                                 y3="-1.446619"
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                                 id="a34"
                                 x3="1.528534"
                                 y3="1.296667"
                                 z3="-3.444627"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.587311"
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                                 z3="3.414582"/>
                           <atom elementType="As"
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                                 x3="-0.101638"
                                 y3="-0.060607"
                                 z3="-0.097277"/>
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                                 id="a37"
                                 x3="-3.87115"
                                 y3="-0.225447"
                                 z3="3.629924"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.481134"
                                 y3="3.704666"
                                 z3="1.701071"/>
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                                 id="a39"
                                 x3="1.36776"
                                 y3="-3.503086"
                                 z3="1.529557"/>
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                                 id="a40"
                                 x3="1.336609"
                                 y3="3.38964"
                                 z3="-1.633638"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.049057"
                                 y3="-3.666123"
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                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.123537"
                                 y3="0.105705"
                                 z3="-2.352752"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.356147"
                                 y3="-1.204354"
                                 z3="1.126033"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.382478"
                                 y3="-3.976158"
                                 z3="-1.811984"/>
                        </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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3673,-2.4363,2.8229;3.6644,-3.8389,-.3144;.0494,2.3683,-2.5578;-.0074,2.468,2.8333;2.4026,-2.6367,.0583;2.4248,2.765,.0459;-2.388,2.9028,.3757;3.5761,4.1212,.2013;-3.5581,4.0999,-.1262;-2.587,.0336,2.4205;2.8098,-.0388,2.5003;2.8496,.3965,-2.4348;.8836,-1.0278,.9217;-1.0644,-.8864,-1.1887;.9978,1.0108,-.9471;-.9943,1.0078,.9425;-3.4234,-1.0172,.9103;2.7421,-1.1211,-1.4169;4.1693,.2138,3.6295;3.1601,1.3573,1.1601;.2244,3.6539,4.1517;1.3415,1.1777,3.1828;-1.0718,.8828,-3.0359;-1.2921,-1.3998,2.7145;-1.3303,2.7923,-1.2097;-.3397,3.4401,-3.8746;1.0839,3.2141,1.3067;1.0135,-3.2518,-1.2725;3.4352,-1.4977,1.3384;4.0119,-.0181,-3.6718;3.6333,1.7256,-1.5106;-3.4424,1.6813,1.2397;1.7464,-1.4466,3.6116;1.5285,1.2967,-3.4446;-1.5873,1.4622,3.4146;-.1016,-.0606,-.0973;-3.8712,-.2254,3.6299;-1.4811,3.7047,1.7011;1.3678,-3.5031,1.5296;1.3366,3.3896,-1.6336;-.0491,-3.6661,4.0579;-1.1235,.1057,-2.3528;-4.3561,-1.2044,1.126;1.3825,-3.9762,-1.812;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">50</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">50</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96389280</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00483029</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">0.00089419</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">0.00483029</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00089419</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04589907</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">0.00639200</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="Ta"
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                                 x3="0.370642"
                                 y3="-2.436417"
                                 z3="2.825376"/>
                           <atom elementType="O"
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                                 y3="-3.834135"
                                 z3="-0.316878"/>
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                                 z3="-2.557342"/>
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                                 z3="2.83639"/>
                           <atom elementType="Ta"
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                                 x3="2.400035"
                                 y3="-2.636387"
                                 z3="0.061175"/>
                           <atom elementType="Ta"
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                                 x3="2.419136"
                                 y3="2.762773"
                                 z3="0.04612"/>
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                                 x3="-2.390445"
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                                 z3="0.375934"/>
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                                 y3="4.119166"
                                 z3="0.195924"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.55855"
                                 y3="4.103021"
                                 z3="-0.12462"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.58294"
                                 y3="0.031846"
                                 z3="2.421498"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.812683"
                                 y3="-0.038558"
                                 z3="2.501677"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.849986"
                                 y3="0.39428"
                                 z3="-2.436361"/>
                           <atom elementType="O"
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                                 x3="0.88151"
                                 y3="-1.036463"
                                 z3="0.920147"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.062172"
                                 y3="-0.886724"
                                 z3="-1.190552"/>
                           <atom elementType="O"
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                                 x3="0.997697"
                                 y3="1.012925"
                                 z3="-0.941449"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.99187"
                                 y3="1.001424"
                                 z3="0.9482"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.412196"
                                 y3="-1.025619"
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                           <atom elementType="O"
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                                 x3="2.735534"
                                 y3="-1.124586"
                                 z3="-1.422122"/>
                           <atom elementType="O"
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                                 y3="0.214301"
                                 z3="3.630542"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.159721"
                                 y3="1.358095"
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                           <atom elementType="O"
                                 id="a21"
                                 x3="0.223059"
                                 y3="3.65162"
                                 z3="4.156194"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.342175"
                                 y3="1.176818"
                                 z3="3.183565"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.073136"
                                 y3="0.879278"
                                 z3="-3.036128"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.288784"
                                 y3="-1.398482"
                                 z3="2.723632"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.334424"
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                                 z3="-1.208332"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.343342"
                                 y3="3.436156"
                                 z3="-3.87311"/>
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                                 id="a27"
                                 x3="1.082615"
                                 y3="3.215648"
                                 z3="1.309908"/>
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                                 id="a28"
                                 x3="1.008517"
                                 y3="-3.258846"
                                 z3="-1.26377"/>
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                                 id="a29"
                                 x3="3.436413"
                                 y3="-1.49522"
                                 z3="1.337281"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="4.014012"
                                 y3="-0.019197"
                                 z3="-3.67213"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.631707"
                                 y3="1.722297"
                                 z3="-1.510033"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.442608"
                                 y3="1.677944"
                                 z3="1.236477"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.749704"
                                 y3="-1.44666"
                                 z3="3.613175"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.526554"
                                 y3="1.29404"
                                 z3="-3.443599"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.586902"
                                 y3="1.462141"
                                 z3="3.416994"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.101442"
                                 y3="-0.062861"
                                 z3="-0.095973"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.872869"
                                 y3="-0.22073"
                                 z3="3.626737"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.481704"
                                 y3="3.701559"
                                 z3="1.702606"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.37331"
                                 y3="-3.505629"
                                 z3="1.535396"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.332663"
                                 y3="3.389016"
                                 z3="-1.633868"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.044085"
                                 y3="-3.665494"
                                 z3="4.061532"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.1240"
                                 y3="0.101792"
                                 z3="-2.352414"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.361658"
                                 y3="-1.158455"
                                 z3="1.092382"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.390333"
                                 y3="-3.956951"
                                 z3="-1.828305"/>
                        </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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                  <module cmlx:templateRef="convergence">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">51</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96394355</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                  <module cmlx:templateRef="coordinates">
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                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
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                  <module cmlx:templateRef="convergence">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">52</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
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                     <list cmlx:templateRef="cgradmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cgradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="gradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                  <module cmlx:templateRef="coordinates">
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                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                     </list>
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                  </module>
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                           <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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3797,-2.4407,2.8311;3.6748,-3.8196,-.3186;.0365,2.3551,-2.5534;-.0061,2.4666,2.8411;2.3964,-2.6386,.0699;2.4083,2.7556,.0447;-2.4014,2.9021,.3804;3.5643,4.1105,.1827;-3.5673,4.1045,-.1178;-2.5733,.0288,2.4339;2.8156,-.0403,2.5056;2.8505,.3877,-2.4383;.8733,-1.0551,.9201;-1.0593,-.8912,-1.1953;.9933,1.0094,-.934;-.983,.9931,.9595;-3.3761,-1.0469,.9249;2.7183,-1.137,-1.435;4.1747,.218,3.6338;3.152,1.3572,1.1653;.2246,3.649,4.1629;1.3416,1.175,3.1854;-1.0735,.868,-3.0302;-1.2841,-1.3989,2.753;-1.351,2.7746,-1.204;-.3577,3.4233,-3.871;1.0798,3.2212,1.3124;1.0022,-3.2841,-1.2408;3.4386,-1.4881,1.335;4.0127,-.0256,-3.6763;3.6286,1.7126,-1.5046;-3.4474,1.6666,1.2345;1.7571,-1.4494,3.618;1.5258,1.2899,-3.4381;-1.5848,1.4645,3.4215;-.1046,-.0706,-.0926;-3.8752,-.1981,3.634;-1.4897,3.6961,1.7066;1.3883,-3.5126,1.5478;1.3212,3.3821,-1.6312;-.0329,-3.673,4.0639;-1.1219,.0868,-2.3445;-4.3504,-1.0152,.9636;1.4151,-3.8945,-1.8801;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">54</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">54</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96416624</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00369501</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">0.00107578</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">0.00369501</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00107578</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04941053</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">0.00756673</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="Ta"
                                 id="a1"
                                 x3="0.381184"
                                 y3="-2.443649"
                                 z3="2.831621"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.682927"
                                 y3="-3.816628"
                                 z3="-0.316791"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.028569"
                                 y3="2.354936"
                                 z3="-2.551246"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.003274"
                                 y3="2.468593"
                                 z3="2.83859"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.398911"
                                 y3="-2.641656"
                                 z3="0.071046"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.411293"
                                 y3="2.754053"
                                 z3="0.04249"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.407071"
                                 y3="2.897044"
                                 z3="0.383287"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.568765"
                                 y3="4.107904"
                                 z3="0.1815"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.576464"
                                 y3="4.096552"
                                 z3="-0.113747"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.572267"
                                 y3="0.029124"
                                 z3="2.443952"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.81231"
                                 y3="-0.042073"
                                 z3="2.507203"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.850437"
                                 y3="0.386092"
                                 z3="-2.436636"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.869853"
                                 y3="-1.054195"
                                 z3="0.923658"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.06301"
                                 y3="-0.894956"
                                 z3="-1.19333"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.989503"
                                 y3="1.000922"
                                 z3="-0.938593"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.98004"
                                 y3="0.999299"
                                 z3="0.959383"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.363711"
                                 y3="-1.049853"
                                 z3="0.933928"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.71818"
                                 y3="-1.141727"
                                 z3="-1.436497"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.171475"
                                 y3="0.220045"
                                 z3="3.634538"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.146845"
                                 y3="1.354474"
                                 z3="1.165366"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.229553"
                                 y3="3.652809"
                                 z3="4.158085"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.339618"
                                 y3="1.175026"
                                 z3="3.18615"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.069704"
                                 y3="0.863229"
                                 z3="-3.02248"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.284379"
                                 y3="-1.400356"
                                 z3="2.760325"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.357315"
                                 y3="2.780202"
                                 z3="-1.203879"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.363435"
                                 y3="3.419779"
                                 z3="-3.872514"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.080223"
                                 y3="3.222382"
                                 z3="1.308169"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.004549"
                                 y3="-3.290189"
                                 z3="-1.237116"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.437779"
                                 y3="-1.487836"
                                 z3="1.335673"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="4.0085"
                                 y3="-0.027673"
                                 z3="-3.678811"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.629336"
                                 y3="1.710539"
                                 z3="-1.500223"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.452026"
                                 y3="1.660384"
                                 z3="1.237972"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.757071"
                                 y3="-1.451474"
                                 z3="3.619745"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.528929"
                                 y3="1.290489"
                                 z3="-3.435821"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.584344"
                                 y3="1.466969"
                                 z3="3.422098"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.107752"
                                 y3="-0.072417"
                                 z3="-0.091398"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.874339"
                                 y3="-0.189051"
                                 z3="3.646204"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.495961"
                                 y3="3.696534"
                                 z3="1.70611"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.389659"
                                 y3="-3.513969"
                                 z3="1.546929"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.318704"
                                 y3="3.376369"
                                 z3="-1.62822"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.032726"
                                 y3="-3.680437"
                                 z3="4.058976"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.117085"
                                 y3="0.079462"
                                 z3="-2.3353"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.335906"
                                 y3="-0.972234"
                                 z3="0.914147"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.420136"
                                 y3="-3.874137"
                                 z3="-1.898942"/>
                        </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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3812,-2.4436,2.8316;3.6829,-3.8166,-.3168;.0286,2.3549,-2.5512;-.0033,2.4686,2.8386;2.3989,-2.6417,.071;2.4113,2.7541,.0425;-2.4071,2.897,.3833;3.5688,4.1079,.1815;-3.5765,4.0966,-.1137;-2.5723,.0291,2.444;2.8123,-.0421,2.5072;2.8504,.3861,-2.4366;.8699,-1.0542,.9237;-1.063,-.895,-1.1933;.9895,1.0009,-.9386;-.98,.9993,.9594;-3.3637,-1.0499,.9339;2.7182,-1.1417,-1.4365;4.1715,.22,3.6345;3.1468,1.3545,1.1654;.2296,3.6528,4.1581;1.3396,1.175,3.1862;-1.0697,.8632,-3.0225;-1.2844,-1.4004,2.7603;-1.3573,2.7802,-1.2039;-.3634,3.4198,-3.8725;1.0802,3.2224,1.3082;1.0045,-3.2902,-1.2371;3.4378,-1.4878,1.3357;4.0085,-.0277,-3.6788;3.6293,1.7105,-1.5002;-3.452,1.6604,1.238;1.7571,-1.4515,3.6197;1.5289,1.2905,-3.4358;-1.5843,1.467,3.4221;-.1078,-.0724,-.0914;-3.8743,-.1891,3.6462;-1.496,3.6965,1.7061;1.3897,-3.514,1.5469;1.3187,3.3764,-1.6282;-.0327,-3.6804,4.059;-1.1171,.0795,-2.3353;-4.3359,-.9722,.9141;1.4201,-3.8741,-1.8989;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">55</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">55</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96435879</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00338754</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">0.00099844</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">0.00338754</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00099844</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05133010</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">0.00755030</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="Ta"
                                 id="a1"
                                 x3="0.382675"
                                 y3="-2.44563"
                                 z3="2.83321"/>
                           <atom elementType="O"
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                                 y3="-3.813381"
                                 z3="-0.316339"/>
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                                 x3="0.022698"
                                 y3="2.353565"
                                 z3="-2.549609"/>
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                                 id="a4"
                                 x3="-0.00105"
                                 y3="2.469639"
                                 z3="2.836694"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.401376"
                                 y3="-2.64376"
                                 z3="0.07195"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.413551"
                                 y3="2.752646"
                                 z3="0.041295"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.411119"
                                 y3="2.891445"
                                 z3="0.384826"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.571135"
                                 y3="4.106281"
                                 z3="0.180486"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.584093"
                                 y3="4.088646"
                                 z3="-0.109938"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.571154"
                                 y3="0.028599"
                                 z3="2.452575"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.810262"
                                 y3="-0.042368"
                                 z3="2.509551"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.849166"
                                 y3="0.383951"
                                 z3="-2.435604"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.866807"
                                 y3="-1.054846"
                                 z3="0.927114"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.067021"
                                 y3="-0.896055"
                                 z3="-1.189697"/>
                           <atom elementType="O"
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                                 x3="0.986614"
                                 y3="0.994417"
                                 z3="-0.940002"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.97827"
                                 y3="1.002909"
                                 z3="0.961986"/>
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                                 id="a17"
                                 x3="-3.352594"
                                 y3="-1.054515"
                                 z3="0.942875"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.718653"
                                 y3="-1.146152"
                                 z3="-1.438373"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.170475"
                                 y3="0.221542"
                                 z3="3.635191"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.143946"
                                 y3="1.352857"
                                 z3="1.166431"/>
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                                 x3="0.23428"
                                 y3="3.657136"
                                 z3="4.153009"/>
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                                 x3="1.338447"
                                 y3="1.174644"
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                                 x3="-1.068498"
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                                 x3="-1.285258"
                                 y3="-1.402691"
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                                 id="a25"
                                 x3="-1.361304"
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                                 id="a26"
                                 x3="-0.366383"
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                                 z3="-3.873674"/>
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                                 x3="1.081017"
                                 y3="3.221793"
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                                 id="a28"
                                 x3="1.005122"
                                 y3="-3.294182"
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                                 z3="-1.497107"/>
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                                 z3="1.238659"/>
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                                 x3="1.757648"
                                 y3="-1.452898"
                                 z3="3.622168"/>
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                                 x3="1.528686"
                                 y3="1.288741"
                                 z3="-3.434239"/>
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                                 z3="3.423492"/>
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                                 z3="-0.088308"/>
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                                 y3="-0.183268"
                                 z3="3.654001"/>
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                                 id="a38"
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                                 z3="1.704829"/>
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                                 id="a39"
                                 x3="1.391675"
                                 y3="-3.5146"
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                                 id="a40"
                                 x3="1.316153"
                                 y3="3.371285"
                                 z3="-1.626531"/>
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                                 x3="1.420366"
                                 y3="-3.849056"
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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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3827,-2.4456,2.8332;3.6899,-3.8134,-.3163;.0227,2.3536,-2.5496;-.001,2.4696,2.8367;2.4014,-2.6438,.072;2.4136,2.7526,.0413;-2.4111,2.8914,.3848;3.5711,4.1063,.1805;-3.5841,4.0886,-.1099;-2.5712,.0286,2.4526;2.8103,-.0424,2.5096;2.8492,.384,-2.4356;.8668,-1.0548,.9271;-1.067,-.8961,-1.1897;.9866,.9944,-.94;-.9783,1.0029,.962;-3.3526,-1.0545,.9429;2.7187,-1.1462,-1.4384;4.1705,.2215,3.6352;3.1439,1.3529,1.1664;.2343,3.6571,4.153;1.3384,1.1746,3.1884;-1.0685,.8581,-3.0179;-1.2853,-1.4027,2.7692;-1.3613,2.7818,-1.2042;-.3664,3.4162,-3.8737;1.081,3.2218,1.3062;1.0051,-3.2942,-1.2324;3.4364,-1.4874,1.3369;4.005,-.0284,-3.6803;3.629,1.7077,-1.4971;-3.4544,1.6533,1.2387;1.7576,-1.4529,3.6222;1.5287,1.2887,-3.4342;-1.5841,1.4702,3.4235;-.11,-.0737,-.0883;-3.8754,-.1833,3.654;-1.4998,3.6948,1.7048;1.3917,-3.5146,1.5471;1.3162,3.3713,-1.6265;-.0316,-3.6857,4.0568;-1.1192,.0731,-2.3291;-4.3163,-.9279,.8628;1.4204,-3.8491,-1.9189;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">56</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">56</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96451996</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00348374</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">0.00102120</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">0.00348374</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00102120</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04918902</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">0.00761346</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="Ta"
                                 id="a1"
                                 x3="0.383122"
                                 y3="-2.446643"
                                 z3="2.834952"/>
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                                 id="a2"
                                 x3="3.696305"
                                 y3="-3.811649"
                                 z3="-0.317127"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.018732"
                                 y3="2.351836"
                                 z3="-2.548331"/>
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                                 id="a4"
                                 x3="0.000799"
                                 y3="2.470436"
                                 z3="2.833404"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.404782"
                                 y3="-2.645626"
                                 z3="0.071354"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.417721"
                                 y3="2.752173"
                                 z3="0.04066"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.414224"
                                 y3="2.882532"
                                 z3="0.384599"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.573628"
                                 y3="4.106543"
                                 z3="0.182163"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.59201"
                                 y3="4.076255"
                                 z3="-0.107382"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.57088"
                                 y3="0.02774"
                                 z3="2.462018"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.808156"
                                 y3="-0.041338"
                                 z3="2.512246"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.846964"
                                 y3="0.38228"
                                 z3="-2.434308"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.864118"
                                 y3="-1.054188"
                                 z3="0.931663"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.073199"
                                 y3="-0.895858"
                                 z3="-1.182907"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.984821"
                                 y3="0.987913"
                                 z3="-0.940978"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.978356"
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                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.344759"
                                 y3="-1.058947"
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                           <atom elementType="O"
                                 id="a18"
                                 x3="2.72255"
                                 y3="-1.150142"
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                           <atom elementType="O"
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                                 x3="4.170626"
                                 y3="0.222139"
                                 z3="3.635178"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.143049"
                                 y3="1.351834"
                                 z3="1.167861"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.238941"
                                 y3="3.663274"
                                 z3="4.1446"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.337742"
                                 y3="1.174214"
                                 z3="3.191748"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.068713"
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                                 z3="-3.015787"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.286287"
                                 y3="-1.404861"
                                 z3="2.777129"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.362109"
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                                 z3="-1.206031"/>
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                                 id="a26"
                                 x3="-0.367183"
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                                 z3="-3.875188"/>
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                                 id="a27"
                                 x3="1.082217"
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                                 id="a28"
                                 x3="1.003838"
                                 y3="-3.294266"
                                 z3="-1.22814"/>
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                                 id="a29"
                                 x3="3.43353"
                                 y3="-1.488063"
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                                 id="a30"
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                                 y3="-0.026582"
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                                 id="a31"
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                                 y3="1.70559"
                                 z3="-1.494791"/>
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                                 id="a32"
                                 x3="-3.455481"
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                                 id="a33"
                                 x3="1.75771"
                                 y3="-1.454057"
                                 z3="3.624661"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.526873"
                                 y3="1.285521"
                                 z3="-3.433362"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.584654"
                                 y3="1.474306"
                                 z3="3.426753"/>
                           <atom elementType="As"
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                                 x3="-0.11201"
                                 y3="-0.073904"
                                 z3="-0.083882"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.875973"
                                 y3="-0.182209"
                                 z3="3.663327"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.502628"
                                 y3="3.690818"
                                 z3="1.70115"/>
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                                 id="a39"
                                 x3="1.391986"
                                 y3="-3.514365"
                                 z3="1.54599"/>
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                                 id="a40"
                                 x3="1.314641"
                                 y3="3.366785"
                                 z3="-1.625868"/>
                           <atom elementType="O"
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                                 x3="-0.030594"
                                 y3="-3.689406"
                                 z3="4.056161"/>
                           <atom elementType="H"
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                                 x3="-1.119796"
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                                 z3="-2.323868"/>
                           <atom elementType="H"
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                                 x3="-4.293939"
                                 y3="-0.885198"
                                 z3="0.813628"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.41266"
                                 y3="-3.821675"
                                 z3="-1.939513"/>
                        </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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3831,-2.4466,2.835;3.6963,-3.8116,-.3171;.0187,2.3518,-2.5483;.0008,2.4704,2.8334;2.4048,-2.6456,.0714;2.4177,2.7522,.0407;-2.4142,2.8825,.3846;3.5736,4.1065,.1822;-3.592,4.0763,-.1074;-2.5709,.0277,2.462;2.8082,-.0413,2.5122;2.847,.3823,-2.4343;.8641,-1.0542,.9317;-1.0732,-.8959,-1.1829;.9848,.9879,-.941;-.9784,1.0066,.9658;-3.3448,-1.0589,.9536;2.7226,-1.1501,-1.4393;4.1706,.2221,3.6352;3.143,1.3518,1.1679;.2389,3.6633,4.1446;1.3377,1.1742,3.1917;-1.0687,.8529,-3.0158;-1.2863,-1.4049,2.7771;-1.3621,2.7818,-1.206;-.3672,3.4124,-3.8752;1.0822,3.2189,1.3048;1.0038,-3.2943,-1.2281;3.4335,-1.4881,1.3388;4.0023,-.0266,-3.6807;3.6285,1.7056,-1.4948;-3.4555,1.6439,1.2389;1.7577,-1.4541,3.6247;1.5269,1.2855,-3.4334;-1.5847,1.4743,3.4268;-.112,-.0739,-.0839;-3.876,-.1822,3.6633;-1.5026,3.6908,1.7011;1.392,-3.5144,1.546;1.3146,3.3668,-1.6259;-.0306,-3.6894,4.0562;-1.1198,.069,-2.3239;-4.2939,-.8852,.8136;1.4127,-3.8217,-1.9395;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">57</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">57</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96469991</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00337333</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">0.00092239</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">0.00337333</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00092239</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04408761</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">0.00752179</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="Ta"
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                                 x3="0.382713"
                                 y3="-2.446685"
                                 z3="2.836461"/>
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                                 y3="-3.810723"
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                                 z3="-2.547688"/>
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                                 z3="2.830339"/>
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                                 y3="-2.646813"
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                                 x3="2.421035"
                                 y3="2.752405"
                                 z3="0.040973"/>
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                                 z3="0.185216"/>
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                                 id="a9"
                                 x3="-3.598168"
                                 y3="4.061785"
                                 z3="-0.107996"/>
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                                 x3="-2.570846"
                                 y3="0.026577"
                                 z3="2.471729"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.807193"
                                 y3="-0.039472"
                                 z3="2.514867"/>
                           <atom elementType="W"
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                                 x3="2.844421"
                                 y3="0.380823"
                                 z3="-2.433041"/>
                           <atom elementType="O"
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                                 x3="0.861704"
                                 y3="-1.054108"
                                 z3="0.93588"/>
                           <atom elementType="O"
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                                 y3="-0.893882"
                                 z3="-1.176564"/>
                           <atom elementType="O"
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                                 y3="0.983185"
                                 z3="-0.940381"/>
                           <atom elementType="O"
                                 id="a16"
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                                 y3="1.007967"
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                           <atom elementType="O"
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                                 y3="-1.063662"
                                 z3="0.966356"/>
                           <atom elementType="O"
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                                 y3="-1.153889"
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                                 y3="0.221346"
                                 z3="3.635613"/>
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                                 id="a20"
                                 x3="3.144222"
                                 y3="1.352172"
                                 z3="1.16987"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.241313"
                                 y3="3.669033"
                                 z3="4.136278"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.337965"
                                 y3="1.173611"
                                 z3="3.195609"/>
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                                 id="a23"
                                 x3="-1.070436"
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                                 z3="-3.019003"/>
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                                 x3="-1.287838"
                                 y3="-1.406775"
                                 z3="2.784996"/>
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                                 id="a25"
                                 x3="-1.360635"
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                                 z3="-1.208062"/>
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                                 id="a26"
                                 x3="-0.365659"
                                 y3="3.408285"
                                 z3="-3.876404"/>
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                                 id="a27"
                                 x3="1.082485"
                                 y3="3.215184"
                                 z3="1.304271"/>
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                                 id="a28"
                                 x3="1.001846"
                                 y3="-3.293195"
                                 z3="-1.224174"/>
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                                 id="a29"
                                 x3="3.430078"
                                 y3="-1.488584"
                                 z3="1.340566"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="4.000596"
                                 y3="-0.023907"
                                 z3="-3.679719"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.62766"
                                 y3="1.703817"
                                 z3="-1.493658"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.455674"
                                 y3="1.633555"
                                 z3="1.239665"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.757495"
                                 y3="-1.455104"
                                 z3="3.626953"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.523679"
                                 y3="1.281312"
                                 z3="-3.432908"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.584661"
                                 y3="1.478256"
                                 z3="3.431385"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.11392"
                                 y3="-0.074081"
                                 z3="-0.07968"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.875047"
                                 y3="-0.182848"
                                 z3="3.674652"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.504521"
                                 y3="3.68521"
                                 z3="1.696499"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.391649"
                                 y3="-3.51362"
                                 z3="1.544888"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.314246"
                                 y3="3.363799"
                                 z3="-1.626865"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.028711"
                                 y3="-3.691184"
                                 z3="4.05696"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.121141"
                                 y3="0.068204"
                                 z3="-2.323557"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.271035"
                                 y3="-0.841837"
                                 z3="0.76954"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.402578"
                                 y3="-3.792033"
                                 z3="-1.960176"/>
                        </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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">58</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96488590</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00321546</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">0.00091488</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">0.00321546</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00091488</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04646818</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:current">0.00764461</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                                 y3="-2.446367"
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                                 z3="-0.110452"/>
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                                 x3="-2.569705"
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                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
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                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
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                           <bond atomRefs2="a10 a17" order="S"/>
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                        </bondArray>
                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
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               <module cmlx:templateRef="geometry.cycle">
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">59</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96505480</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00318273</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">0.00104752</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">0.00318273</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00104752</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04392915</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
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                                 z3="2.828302"/>
                           <atom elementType="Ta"
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                        <property dictRef="cml:molmass">
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                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                  <module cmlx:templateRef="convergence">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">60</scalar>
                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
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                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3821,-2.4457,2.8415;3.703,-3.812,-.3208;.0211,2.3367,-2.5486;-.0003,2.4694,2.8281;2.4093,-2.648,.0696;2.4213,2.7525,.042;-2.4164,2.8431,.3826;3.5685,4.1117,.1894;-3.604,4.0214,-.1217;-2.5655,.0225,2.4955;2.8087,-.0337,2.5211;2.8351,.374,-2.4305;.8528,-1.0575,.9457;-1.0948,-.8855,-1.1693;.9855,.976,-.936;-.9779,1.0041,.9863;-3.3343,-1.0755,.9929;2.7257,-1.167,-1.4447;4.1758,.2176,3.6407;3.1504,1.3566,1.1751;.2326,3.6786,4.1253;1.3398,1.1735,3.2053;-1.0796,.8413,-3.0386;-1.2911,-1.4111,2.8057;-1.3568,2.7475,-1.2067;-.3652,3.3984,-3.8742;1.0765,3.2094,1.3028;.9876,-3.291,-1.2056;3.421,-1.4866,1.3435;3.9989,-.0234,-3.6719;3.6186,1.6966,-1.4937;-3.4558,1.6055,1.2485;1.7577,-1.4568,3.6327;1.5137,1.2712,-3.4332;-1.5814,1.4819,3.4474;-.1211,-.0781,-.074;-3.8606,-.1859,3.7116;-1.5115,3.6696,1.691;1.3902,-3.5139,1.5479;1.3146,3.3606,-1.6332;-.0161,-3.6906,4.0666;-1.1266,.0758,-2.3376;-4.1658,-.716,.6331;1.368,-3.6983,-2.0058;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">61</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">61</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96545731</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00443742</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">0.00140444</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">0.00443742</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00140444</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06829410</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">0.01009394</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="Ta"
                                 id="a1"
                                 x3="0.383759"
                                 y3="-2.445544"
                                 z3="2.84509"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.702759"
                                 y3="-3.813725"
                                 z3="-0.317069"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.0168"
                                 y3="2.333946"
                                 z3="-2.546173"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="0.001719"
                                 y3="2.466957"
                                 z3="2.830077"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.408844"
                                 y3="-2.649502"
                                 z3="0.072098"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.419544"
                                 y3="2.750752"
                                 z3="0.04214"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.422152"
                                 y3="2.84233"
                                 z3="0.388544"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.56666"
                                 y3="4.110358"
                                 z3="0.187275"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.611099"
                                 y3="4.019981"
                                 z3="-0.114324"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.562695"
                                 y3="0.025131"
                                 z3="2.492343"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.810029"
                                 y3="-0.03349"
                                 z3="2.521437"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.831471"
                                 y3="0.371732"
                                 z3="-2.430536"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.852237"
                                 y3="-1.058505"
                                 z3="0.94786"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.096807"
                                 y3="-0.886743"
                                 z3="-1.166842"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.983518"
                                 y3="0.973741"
                                 z3="-0.934404"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.978019"
                                 y3="1.002028"
                                 z3="0.987948"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.317021"
                                 y3="-1.072533"
                                 z3="0.981796"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.722979"
                                 y3="-1.16962"
                                 z3="-1.444235"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.177705"
                                 y3="0.2186"
                                 z3="3.640188"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.151285"
                                 y3="1.35613"
                                 z3="1.174782"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.237019"
                                 y3="3.675537"
                                 z3="4.127392"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.341855"
                                 y3="1.172945"
                                 z3="3.205223"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.085103"
                                 y3="0.839247"
                                 z3="-3.034891"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.291059"
                                 y3="-1.41119"
                                 z3="2.807386"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.362162"
                                 y3="2.745552"
                                 z3="-1.201937"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.371924"
                                 y3="3.396228"
                                 z3="-3.870487"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.076534"
                                 y3="3.207255"
                                 z3="1.303015"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.98693"
                                 y3="-3.294862"
                                 z3="-1.20161"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.421172"
                                 y3="-1.48675"
                                 z3="1.344581"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.993855"
                                 y3="-0.025725"
                                 z3="-3.673188"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.615179"
                                 y3="1.6946"
                                 z3="-1.495045"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.489746"
                                 y3="1.59616"
                                 z3="1.261246"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.759589"
                                 y3="-1.455801"
                                 z3="3.634443"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.508332"
                                 y3="1.268053"
                                 z3="-3.432238"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.576329"
                                 y3="1.481712"
                                 z3="3.444725"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.121926"
                                 y3="-0.080094"
                                 z3="-0.07201"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.857572"
                                 y3="-0.175803"
                                 z3="3.709984"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.514184"
                                 y3="3.668351"
                                 z3="1.695787"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.39049"
                                 y3="-3.514509"
                                 z3="1.551268"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.311399"
                                 y3="3.35809"
                                 z3="-1.632116"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.01335"
                                 y3="-3.689849"
                                 z3="4.071135"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.132523"
                                 y3="0.073791"
                                 z3="-2.33371"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.102093"
                                 y3="-0.67301"
                                 z3="0.564843"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.367606"
                                 y3="-3.69325"
                                 z3="-2.006191"/>
                        </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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3838,-2.4455,2.8451;3.7028,-3.8137,-.3171;.0168,2.3339,-2.5462;.0017,2.467,2.8301;2.4088,-2.6495,.0721;2.4195,2.7508,.0421;-2.4222,2.8423,.3885;3.5667,4.1104,.1873;-3.6111,4.02,-.1143;-2.5627,.0251,2.4923;2.81,-.0335,2.5214;2.8315,.3717,-2.4305;.8522,-1.0585,.9479;-1.0968,-.8867,-1.1668;.9835,.9737,-.9344;-.978,1.002,.9879;-3.317,-1.0725,.9818;2.723,-1.1696,-1.4442;4.1777,.2186,3.6402;3.1513,1.3561,1.1748;.237,3.6755,4.1274;1.3419,1.1729,3.2052;-1.0851,.8392,-3.0349;-1.2911,-1.4112,2.8074;-1.3622,2.7456,-1.2019;-.3719,3.3962,-3.8705;1.0765,3.2073,1.303;.9869,-3.2949,-1.2016;3.4212,-1.4868,1.3446;3.9939,-.0257,-3.6732;3.6152,1.6946,-1.495;-3.4897,1.5962,1.2612;1.7596,-1.4558,3.6344;1.5083,1.2681,-3.4322;-1.5763,1.4817,3.4447;-.1219,-.0801,-.072;-3.8576,-.1758,3.71;-1.5142,3.6684,1.6958;1.3905,-3.5145,1.5513;1.3114,3.3581,-1.6321;-.0134,-3.6898,4.0711;-1.1325,.0738,-2.3337;-4.1021,-.673,.5648;1.3676,-3.6932,-2.0062;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">62</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">62</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96527286</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01837298</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">0.00335924</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">0.01837298</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00335924</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04424625</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">0.00755275</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="Ta"
                                 id="a1"
                                 x3="0.383067"
                                 y3="-2.446347"
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                                 y3="-3.812521"
                                 z3="-0.318007"/>
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                                 z3="-2.547623"/>
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                                 z3="2.829036"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.408967"
                                 y3="-2.649721"
                                 z3="0.071566"/>
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                                 id="a6"
                                 x3="2.4198"
                                 y3="2.751213"
                                 z3="0.042317"/>
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                                 id="a7"
                                 x3="-2.418961"
                                 y3="2.832021"
                                 z3="0.385617"/>
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                                 x3="3.565353"
                                 y3="4.11182"
                                 z3="0.188098"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.609701"
                                 y3="4.004608"
                                 z3="-0.123597"/>
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                                 id="a10"
                                 x3="-2.562186"
                                 y3="0.022315"
                                 z3="2.504087"/>
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                                 x3="2.809009"
                                 y3="-0.031627"
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                                 x3="2.829359"
                                 y3="0.368807"
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                                 x3="0.847027"
                                 y3="-1.059516"
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                                 x3="-1.102548"
                                 y3="-0.883173"
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                                 x3="0.983629"
                                 y3="0.970674"
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                                 x3="-0.976426"
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                                 y3="-1.074886"
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                                 x3="2.721455"
                                 y3="-1.174938"
                                 z3="-1.446768"/>
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                                 id="a19"
                                 x3="4.1773"
                                 y3="0.217561"
                                 z3="3.642484"/>
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                                 x3="3.151869"
                                 y3="1.3579"
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                                 x3="0.231936"
                                 y3="3.681334"
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                                 x3="1.340493"
                                 y3="1.174214"
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                                 x3="-0.370161"
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                                 x3="1.073421"
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                                 y3="-3.295579"
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                                 y3="-1.456856"
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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"/>
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                           <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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3831,-2.4463,2.8453;3.7043,-3.8125,-.318;.019,2.3305,-2.5476;-.0002,2.4688,2.829;2.409,-2.6497,.0716;2.4198,2.7512,.0423;-2.419,2.832,.3856;3.5654,4.1118,.1881;-3.6097,4.0046,-.1236;-2.5622,.0223,2.5041;2.809,-.0316,2.5239;2.8294,.3688,-2.4291;.847,-1.0595,.9506;-1.1025,-.8832,-1.1663;.9836,.9707,-.9342;-.9764,1.0038,.9923;-3.3235,-1.0749,.9966;2.7215,-1.1749,-1.4468;4.1773,.2176,3.6425;3.1519,1.3579,1.1772;.2319,3.6813,4.1232;1.3405,1.1742,3.2091;-1.0858,.8375,-3.0414;-1.2928,-1.4142,2.8152;-1.3593,2.7366,-1.2034;-.3702,3.3944,-3.8704;1.0734,3.2077,1.3014;.9817,-3.2956,-1.1947;3.4171,-1.4853,1.3455;3.9943,-.0267,-3.6699;3.6128,1.6915,-1.4932;-3.4665,1.5925,1.2566;1.7583,-1.4569,3.6356;1.5074,1.2644,-3.4332;-1.5793,1.483,3.4521;-.1253,-.081,-.071;-3.8534,-.1838,3.7261;-1.5172,3.6653,1.6919;1.3898,-3.5149,1.5506;1.3124,3.3563,-1.6339;-.0101,-3.6924,4.071;-1.1339,.0747,-2.339;-4.0702,-.6485,.5387;1.3512,-3.649,-2.0251;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">63</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">63</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96589481</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00650669</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">0.00186701</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">0.00650669</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00186701</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10594846</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">0.01549854</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="Ta"
                                 id="a1"
                                 x3="0.383164"
                                 y3="-2.447774"
                                 z3="2.847879"/>
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                                 id="a2"
                                 x3="3.706864"
                                 y3="-3.811639"
                                 z3="-0.315439"/>
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                                 id="a3"
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                                 y3="2.324107"
                                 z3="-2.54803"/>
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                                 x3="-0.001651"
                                 y3="2.470396"
                                 z3="2.829073"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.408291"
                                 y3="-2.651671"
                                 z3="0.073477"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.418613"
                                 y3="2.749912"
                                 z3="0.042353"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.419025"
                                 y3="2.81881"
                                 z3="0.385993"/>
                           <atom elementType="O"
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                                 x3="3.56259"
                                 y3="4.111811"
                                 z3="0.186279"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.613864"
                                 y3="3.984249"
                                 z3="-0.130477"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.559914"
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                                 z3="2.518212"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.807843"
                                 y3="-0.029638"
                                 z3="2.527704"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.824297"
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                                 z3="-2.427169"/>
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                                 id="a13"
                                 x3="0.838671"
                                 y3="-1.061917"
                                 z3="0.955659"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.113552"
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                           <atom elementType="O"
                                 id="a15"
                                 x3="0.98169"
                                 y3="0.963859"
                                 z3="-0.933497"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.973994"
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                                 z3="0.99882"/>
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                                 id="a17"
                                 x3="-3.320613"
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                                 id="a18"
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                                 y3="-1.184769"
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                                 z3="3.645503"/>
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                                 id="a20"
                                 x3="3.152103"
                                 y3="1.359311"
                                 z3="1.180617"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.229223"
                                 y3="3.687233"
                                 z3="4.119412"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.339106"
                                 y3="1.176057"
                                 z3="3.213607"/>
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                                 id="a23"
                                 x3="-1.089456"
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                                 id="a24"
                                 x3="-1.29292"
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                                 id="a25"
                                 x3="-1.359732"
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                                 x3="-0.372389"
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                                 x3="1.069076"
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                                 x3="3.411897"
                                 y3="-1.483746"
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                                 id="a31"
                                 x3="3.607572"
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                                 z3="-1.490851"/>
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                                 id="a33"
                                 x3="1.757359"
                                 y3="-1.457682"
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                                 id="a34"
                                 x3="1.50344"
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                                 z3="-3.434041"/>
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                                 id="a35"
                                 x3="-1.580871"
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                                 z3="3.45873"/>
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                                 x3="-0.130895"
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                                 z3="-0.067995"/>
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                                 id="a37"
                                 x3="-3.845963"
                                 y3="-0.190746"
                                 z3="3.746224"/>
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                                 id="a38"
                                 x3="-1.52438"
                                 y3="3.662383"
                                 z3="1.690514"/>
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                                 x3="1.388633"
                                 y3="-3.516487"
                                 z3="1.551539"/>
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                                 x3="1.311105"
                                 y3="3.350896"
                                 z3="-1.634734"/>
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                                 x3="-0.005584"
                                 y3="-3.696482"
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                                 id="a42"
                                 x3="-1.140005"
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                                 z3="-2.340096"/>
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                                 x3="-3.964209"
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                           <atom elementType="H"
                                 id="a44"
                                 x3="1.322758"
                                 y3="-3.574038"
                                 z3="-2.05077"/>
                        </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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3832,-2.4478,2.8479;3.7069,-3.8116,-.3154;.0182,2.3241,-2.548;-.0017,2.4704,2.8291;2.4083,-2.6517,.0735;2.4186,2.7499,.0424;-2.419,2.8188,.386;3.5626,4.1118,.1863;-3.6139,3.9842,-.1305;-2.5599,.0205,2.5182;2.8078,-.0296,2.5277;2.8243,.3625,-2.4272;.8387,-1.0619,.9557;-1.1136,-.8791,-1.1629;.9817,.9639,-.9335;-.974,1.0065,.9988;-3.3206,-1.0731,1.0079;2.7162,-1.1848,-1.4499;4.177,.2171,3.6455;3.1521,1.3593,1.1806;.2292,3.6872,4.1194;1.3391,1.1761,3.2136;-1.0895,.8332,-3.0453;-1.2929,-1.4162,2.826;-1.3597,2.7251,-1.2022;-.3724,3.3903,-3.8685;1.0691,3.2078,1.2988;.9739,-3.3012,-1.182;3.4119,-1.4837,1.3479;3.9905,-.0309,-3.667;3.6076,1.685,-1.4909;-3.4577,1.5815,1.2577;1.7574,-1.4577,3.6385;1.5034,1.2566,-3.434;-1.5809,1.4853,3.4587;-.1309,-.0835,-.068;-3.846,-.1907,3.7462;-1.5244,3.6624,1.6905;1.3886,-3.5165,1.5515;1.3111,3.3509,-1.6347;-.0056,-3.6965,4.0723;-1.14,.0732,-2.3401;-3.9642,-.5945,.4558;1.3228,-3.574,-2.0508;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">64</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">64</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96653491</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00715037</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">0.00173273</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">0.00715037</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00173273</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.28428336</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">0.03447647</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 y3="-2.454831"
                                 z3="2.857329"/>
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                                 z3="-2.548288"/>
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                                 z3="2.833925"/>
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                                 y3="-2.653608"
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                                 z3="0.038442"/>
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                                 z3="2.527167"/>
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                                 id="a11"
                                 x3="2.804072"
                                 y3="-0.028699"
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                           <atom elementType="W"
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                                 y3="0.34579"
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                                 y3="-1.070354"
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                           <atom elementType="O"
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                                 y3="0.950841"
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                                 y3="-1.056745"
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                                 y3="-1.204894"
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                                 y3="0.226418"
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                                 y3="1.358355"
                                 z3="1.182983"/>
                           <atom elementType="O"
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                                 y3="3.689801"
                                 z3="4.126689"/>
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                                 y3="1.185465"
                                 z3="3.215761"/>
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                                 x3="-1.370159"
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                                 x3="-0.387647"
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                                 z3="-3.860898"/>
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                                 id="a27"
                                 x3="1.061038"
                                 y3="3.215871"
                                 z3="1.293522"/>
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                                 id="a28"
                                 x3="0.95651"
                                 y3="-3.31791"
                                 z3="-1.150923"/>
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                                 id="a29"
                                 x3="3.411054"
                                 y3="-1.477551"
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                                 x3="3.974016"
                                 y3="-0.051889"
                                 z3="-3.66624"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.592952"
                                 y3="1.667953"
                                 z3="-1.486068"/>
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                                 id="a32"
                                 x3="-3.424769"
                                 y3="1.588321"
                                 z3="1.256228"/>
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                                 id="a33"
                                 x3="1.758968"
                                 y3="-1.45333"
                                 z3="3.641958"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.498448"
                                 y3="1.247989"
                                 z3="-3.437884"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.588274"
                                 y3="1.478588"
                                 z3="3.460021"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.142997"
                                 y3="-0.091591"
                                 z3="-0.063734"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.843036"
                                 y3="-0.238829"
                                 z3="3.746372"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.53719"
                                 y3="3.670455"
                                 z3="1.698121"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.395593"
                                 y3="-3.524743"
                                 z3="1.562057"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.299418"
                                 y3="3.337869"
                                 z3="-1.629243"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.004508"
                                 y3="-3.706111"
                                 z3="4.080019"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.159061"
                                 y3="0.060222"
                                 z3="-2.321647"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.679926"
                                 y3="-0.511621"
                                 z3="0.284249"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.261822"
                                 y3="-3.439512"
                                 z3="-2.069159"/>
                        </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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                  <module cmlx:templateRef="convergence">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">65</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96754673</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02463911</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cgradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
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                     <list cmlx:templateRef="gradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                  <module cmlx:templateRef="coordinates">
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                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
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                  <module cmlx:templateRef="convergence">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">66</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
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                     </list>
                     <list cmlx:templateRef="cgradmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cgradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="gradrms">
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                     <list cmlx:templateRef="cstepmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                  </module>
                  <module cmlx:templateRef="coordinates">
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                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
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                  </module>
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                           <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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3775,-2.4451,2.8662;3.6979,-3.8013,-.2998;.0068,2.3089,-2.5532;-.0044,2.4784,2.831;2.382,-2.6575,.0926;2.4067,2.7342,.0406;-2.4189,2.8071,.3902;3.5578,4.0909,.1637;-3.622,3.958,-.1441;-2.5665,.0269,2.5458;2.7985,-.0244,2.5456;2.7935,.3286,-2.4249;.7873,-1.0742,.9739;-1.2075,-.84,-1.1256;.9609,.9356,-.9317;-.9659,1.0362,1.0169;-3.2251,-1.0855,1.0038;2.6531,-1.235,-1.4737;4.1721,.2187,3.6569;3.1409,1.3583,1.1951;.2302,3.6996,4.1149;1.3279,1.1854,3.2279;-1.1054,.8269,-3.0436;-1.3025,-1.4181,2.8839;-1.3662,2.708,-1.1978;-.3818,3.3903,-3.8606;1.0595,3.2135,1.2926;.9101,-3.3146,-1.1173;3.3847,-1.475,1.353;3.9612,-.064,-3.662;3.5812,1.6413,-1.4768;-3.4357,1.5736,1.245;1.7515,-1.4509,3.6519;1.4883,1.2326,-3.44;-1.5795,1.4947,3.4489;-.1623,-.0851,-.0521;-3.8584,-.2519,3.753;-1.5468,3.6743,1.6938;1.3757,-3.5244,1.5634;1.3022,3.3244,-1.6317;-.0024,-3.7027,4.084;-1.1862,.0762,-2.3238;-3.0864,-.7093,.1169;1.0494,-3.1447,-2.0669;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">68</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">68</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.97128174</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02006830</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">0.00466186</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">0.02006830</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00466186</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.29412890</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">0.04964377</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="Ta"
                                 id="a1"
                                 x3="0.381959"
                                 y3="-2.432702"
                                 z3="2.855798"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.704899"
                                 y3="-3.787749"
                                 z3="-0.319436"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.016654"
                                 y3="2.308548"
                                 z3="-2.558089"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.004191"
                                 y3="2.482436"
                                 z3="2.825092"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.3805"
                                 y3="-2.654778"
                                 z3="0.087267"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.41821"
                                 y3="2.724289"
                                 z3="0.04091"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.419437"
                                 y3="2.803445"
                                 z3="0.376867"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.571408"
                                 y3="4.077486"
                                 z3="0.161175"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.622189"
                                 y3="3.951096"
                                 z3="-0.165914"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.56783"
                                 y3="0.04769"
                                 z3="2.532185"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.801733"
                                 y3="-0.021213"
                                 z3="2.556082"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.790717"
                                 y3="0.317369"
                                 z3="-2.428244"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.76753"
                                 y3="-1.080626"
                                 z3="0.976287"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.2536"
                                 y3="-0.806421"
                                 z3="-1.103867"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.964625"
                                 y3="0.918911"
                                 z3="-0.932677"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.944074"
                                 y3="1.047903"
                                 z3="1.02401"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.208608"
                                 y3="-1.095383"
                                 z3="1.009747"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.635135"
                                 y3="-1.26206"
                                 z3="-1.503429"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.1768"
                                 y3="0.213199"
                                 z3="3.66653"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.148997"
                                 y3="1.355847"
                                 z3="1.205508"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.23462"
                                 y3="3.707285"
                                 z3="4.10405"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.323181"
                                 y3="1.187071"
                                 z3="3.239521"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.096707"
                                 y3="0.830406"
                                 z3="-3.052765"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.294132"
                                 y3="-1.395896"
                                 z3="2.896213"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.359522"
                                 y3="2.700104"
                                 z3="-1.206496"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.367369"
                                 y3="3.401882"
                                 z3="-3.856193"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.070115"
                                 y3="3.206366"
                                 z3="1.293512"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.873856"
                                 y3="-3.30165"
                                 z3="-1.085249"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.378088"
                                 y3="-1.469661"
                                 z3="1.347783"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.96566"
                                 y3="-0.063314"
                                 z3="-3.661037"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.582068"
                                 y3="1.619009"
                                 z3="-1.464931"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.437498"
                                 y3="1.57471"
                                 z3="1.213116"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.754281"
                                 y3="-1.445905"
                                 z3="3.649909"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.498316"
                                 y3="1.23425"
                                 z3="-3.445213"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.630489"
                                 y3="1.51203"
                                 z3="3.463374"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.164198"
                                 y3="-0.085742"
                                 z3="-0.045177"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.877142"
                                 y3="-0.297581"
                                 z3="3.703487"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.555824"
                                 y3="3.676099"
                                 z3="1.682621"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.379507"
                                 y3="-3.525006"
                                 z3="1.553534"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.311291"
                                 y3="3.31438"
                                 z3="-1.627387"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.00389"
                                 y3="-3.695751"
                                 z3="4.068809"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.192793"
                                 y3="0.087072"
                                 z3="-2.325571"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-2.792226"
                                 y3="-0.969098"
                                 z3="0.138106"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.787291"
                                 y3="-2.889647"
                                 z3="-1.964216"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;;;+1/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-35(9)18-33(5,6)20-36(10,22-35)23-37(11)21-34(7,8,19-35)27-39(13,28-37)31-41(15,16)30-38(12,24-36,25-37)29-40(14,26-33)32-41/h5,7,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;4;6;11;1;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2-1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWOO1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s1;;;;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:.382,-2.4327,2.8558;3.7049,-3.7877,-.3194;.0167,2.3085,-2.5581;-.0042,2.4824,2.8251;2.3805,-2.6548,.0873;2.4182,2.7243,.0409;-2.4194,2.8034,.3769;3.5714,4.0775,.1612;-3.6222,3.9511,-.1659;-2.5678,.0477,2.5322;2.8017,-.0212,2.5561;2.7907,.3174,-2.4282;.7675,-1.0806,.9763;-1.2536,-.8064,-1.1039;.9646,.9189,-.9327;-.9441,1.0479,1.024;-3.2086,-1.0954,1.0097;2.6351,-1.2621,-1.5034;4.1768,.2132,3.6665;3.149,1.3558,1.2055;.2346,3.7073,4.104;1.3232,1.1871,3.2395;-1.0967,.8304,-3.0528;-1.2941,-1.3959,2.8962;-1.3595,2.7001,-1.2065;-.3674,3.4019,-3.8562;1.0701,3.2064,1.2935;.8739,-3.3016,-1.0852;3.3781,-1.4697,1.3478;3.9657,-.0633,-3.661;3.5821,1.619,-1.4649;-3.4375,1.5747,1.2131;1.7543,-1.4459,3.6499;1.4983,1.2343,-3.4452;-1.6305,1.512,3.4634;-.1642,-.0857,-.0452;-3.8771,-.2976,3.7035;-1.5558,3.6761,1.6826;1.3795,-3.525,1.5535;1.3113,3.3144,-1.6274;.0039,-3.6958,4.0688;-1.1928,.0871,-2.3256;-2.7922,-.9691,.1381;.7873,-2.8896,-1.9642;/R:/0/N:36,14,15,16,28,2,17,37,41,19,21,8,9,30,23,26,13,39,24,29,35,33,22,20,27,18,32,38,31,40,25,34,5,10,1,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">69</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">69</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.97377615</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03038558</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">0.00690869</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">0.03038558</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00690869</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.28685042</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">0.03817980</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="Ta"
                                 id="a1"
                                 x3="0.356234"
                                 y3="-2.439989"
                                 z3="2.862247"/>
                           <atom elementType="O"
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                                 x3="3.677568"
                                 y3="-3.791797"
                                 z3="-0.314029"/>
                           <atom elementType="W"
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                                 x3="0.015671"
                                 y3="2.324694"
                                 z3="-2.56469"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.008132"
                                 y3="2.491741"
                                 z3="2.821732"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.35607"
                                 y3="-2.655134"
                                 z3="0.090437"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.410235"
                                 y3="2.734431"
                                 z3="0.037215"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.403769"
                                 y3="2.81704"
                                 z3="0.376618"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.569223"
                                 y3="4.082857"
                                 z3="0.158117"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.604092"
                                 y3="3.970177"
                                 z3="-0.159361"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.564805"
                                 y3="0.030855"
                                 z3="2.533612"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.785583"
                                 y3="-0.023385"
                                 z3="2.553923"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.781017"
                                 y3="0.321374"
                                 z3="-2.427757"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.751336"
                                 y3="-1.074654"
                                 z3="0.973739"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.269523"
                                 y3="-0.7883"
                                 z3="-1.110504"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.952714"
                                 y3="0.935834"
                                 z3="-0.93734"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.958353"
                                 y3="1.071353"
                                 z3="1.018722"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.180359"
                                 y3="-1.06193"
                                 z3="0.964176"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.61485"
                                 y3="-1.255906"
                                 z3="-1.498605"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.160965"
                                 y3="0.209539"
                                 z3="3.664434"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.133424"
                                 y3="1.357967"
                                 z3="1.203111"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.224916"
                                 y3="3.711923"
                                 z3="4.106264"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.315909"
                                 y3="1.189615"
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                                 x3="-1.10182"
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                                 x3="-1.313583"
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                                 id="a25"
                                 x3="-1.353085"
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                                 z3="-1.210538"/>
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                                 id="a26"
                                 x3="-0.362064"
                                 y3="3.417145"
                                 z3="-3.865308"/>
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                                 id="a27"
                                 x3="1.059707"
                                 y3="3.228497"
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                                 id="a28"
                                 x3="0.852942"
                                 y3="-3.298522"
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                                 z3="-1.46501"/>
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                                 x3="-3.388507"
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                                 z3="1.208629"/>
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                                 id="a33"
                                 x3="1.734456"
                                 y3="-1.451164"
                                 z3="3.651147"/>
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                                 id="a34"
                                 x3="1.494094"
                                 y3="1.242919"
                                 z3="-3.44843"/>
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                                 id="a35"
                                 x3="-1.591525"
                                 y3="1.499565"
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                                 x3="-3.884269"
                                 y3="-0.268581"
                                 z3="3.70524"/>
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                                 id="a38"
                                 x3="-1.54696"
                                 y3="3.687689"
                                 z3="1.685484"/>
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                                 id="a39"
                                 x3="1.355569"
                                 y3="-3.527278"
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                                 id="a40"
                                 x3="1.311029"
                                 y3="3.327749"
                                 z3="-1.633643"/>
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                                 x3="-2.530151"
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                                 x3="0.797188"
                                 y3="-2.908606"
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                           <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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3562,-2.44,2.8622;3.6776,-3.7918,-.314;.0157,2.3247,-2.5647;-.0081,2.4917,2.8217;2.3561,-2.6551,.0904;2.4102,2.7344,.0372;-2.4038,2.817,.3766;3.5692,4.0829,.1581;-3.6041,3.9702,-.1594;-2.5648,.0309,2.5336;2.7856,-.0234,2.5539;2.781,.3214,-2.4278;.7513,-1.0747,.9737;-1.2695,-.7883,-1.1105;.9527,.9358,-.9373;-.9584,1.0714,1.0187;-3.1804,-1.0619,.9642;2.6149,-1.2559,-1.4986;4.161,.2095,3.6644;3.1334,1.358,1.2031;.2249,3.7119,4.1063;1.3159,1.1896,3.2313;-1.1018,.8491,-3.0586;-1.3136,-1.4125,2.9064;-1.3531,2.7201,-1.2105;-.3621,3.4171,-3.8653;1.0597,3.2285,1.2912;.8529,-3.2985,-1.0894;3.359,-1.4731,1.3476;3.9565,-.0693,-3.657;3.576,1.622,-1.465;-3.3885,1.5903,1.2086;1.7345,-1.4512,3.6511;1.4941,1.2429,-3.4484;-1.5915,1.4996,3.4438;-.1801,-.0647,-.0533;-3.8843,-.2686,3.7052;-1.547,3.6877,1.6855;1.3556,-3.5273,1.5582;1.311,3.3277,-1.6336;-.0245,-3.7022,4.0752;-1.2031,.1073,-2.3321;-2.5302,-1.2559,.2634;.7972,-2.9086,-1.9807;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">70</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">70</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.97094976</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04695134</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">0.00938036</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">0.04695134</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00938036</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08365225</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">0.01945418</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="Ta"
                                 id="a1"
                                 x3="0.377682"
                                 y3="-2.422406"
                                 z3="2.855525"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.673838"
                                 y3="-3.799135"
                                 z3="-0.308348"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.013828"
                                 y3="2.316594"
                                 z3="-2.561838"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.010533"
                                 y3="2.47831"
                                 z3="2.836584"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.362186"
                                 y3="-2.651277"
                                 z3="0.090364"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.404722"
                                 y3="2.724889"
                                 z3="0.039935"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.395866"
                                 y3="2.839838"
                                 z3="0.382092"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.562801"
                                 y3="4.075686"
                                 z3="0.155087"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.579332"
                                 y3="4.008403"
                                 z3="-0.157217"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.605116"
                                 y3="0.035104"
                                 z3="2.522998"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.802662"
                                 y3="-0.024774"
                                 z3="2.549516"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.787576"
                                 y3="0.319575"
                                 z3="-2.432213"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.770662"
                                 y3="-1.072334"
                                 z3="0.967928"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.271352"
                                 y3="-0.814503"
                                 z3="-1.081699"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.955743"
                                 y3="0.932165"
                                 z3="-0.935401"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.962257"
                                 y3="1.059798"
                                 z3="1.018328"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.257504"
                                 y3="-1.048884"
                                 z3="0.958715"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.609447"
                                 y3="-1.250934"
                                 z3="-1.500646"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.176679"
                                 y3="0.215242"
                                 z3="3.66042"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.139923"
                                 y3="1.35648"
                                 z3="1.199876"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.224771"
                                 y3="3.6911"
                                 z3="4.127286"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.317915"
                                 y3="1.183771"
                                 z3="3.235745"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.103223"
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                                 z3="-3.052257"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.285028"
                                 y3="-1.381311"
                                 z3="2.877435"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.351057"
                                 y3="2.715403"
                                 z3="-1.202802"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.375047"
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                                 z3="-3.855181"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.064594"
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                                 z3="1.298516"/>
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                                 id="a28"
                                 x3="0.873527"
                                 y3="-3.2924"
                                 z3="-1.113912"/>
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                                 id="a29"
                                 x3="3.378796"
                                 y3="-1.469552"
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                                 id="a30"
                                 x3="3.957402"
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                                 id="a31"
                                 x3="3.579683"
                                 y3="1.618501"
                                 z3="-1.470185"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.404107"
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                           <atom elementType="O"
                                 id="a33"
                                 x3="1.757957"
                                 y3="-1.440195"
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                           <atom elementType="O"
                                 id="a34"
                                 x3="1.493974"
                                 y3="1.238914"
                                 z3="-3.447263"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.623698"
                                 y3="1.489075"
                                 z3="3.451853"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.167804"
                                 y3="-0.071267"
                                 z3="-0.045684"/>
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                                 id="a37"
                                 x3="-3.951169"
                                 y3="-0.22027"
                                 z3="3.667696"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.53512"
                                 y3="3.691752"
                                 z3="1.698698"/>
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                                 x3="1.372434"
                                 y3="-3.521019"
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                                 y3="3.320197"
                                 z3="-1.628791"/>
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                                 x3="-0.008717"
                                 y3="-3.6810"
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                                 x3="-1.219319"
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                                 z3="-2.3358"/>
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                                 x3="-2.583245"
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                           <atom elementType="H"
                                 id="a44"
                                 x3="0.855809"
                                 y3="-2.896718"
                                 z3="-2.003598"/>
                        </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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3777,-2.4224,2.8555;3.6738,-3.7991,-.3083;.0138,2.3166,-2.5618;-.0105,2.4783,2.8366;2.3622,-2.6513,.0904;2.4047,2.7249,.0399;-2.3959,2.8398,.3821;3.5628,4.0757,.1551;-3.5793,4.0084,-.1572;-2.6051,.0351,2.523;2.8027,-.0248,2.5495;2.7876,.3196,-2.4322;.7707,-1.0723,.9679;-1.2714,-.8145,-1.0817;.9557,.9322,-.9354;-.9623,1.0598,1.0183;-3.2575,-1.0489,.9587;2.6094,-1.2509,-1.5006;4.1767,.2152,3.6604;3.1399,1.3565,1.1999;.2248,3.6911,4.1273;1.3179,1.1838,3.2357;-1.1032,.8379,-3.0523;-1.285,-1.3813,2.8774;-1.3511,2.7154,-1.2028;-.375,3.4124,-3.8552;1.0646,3.2133,1.2985;.8735,-3.2924,-1.1139;3.3788,-1.4696,1.3399;3.9574,-.0756,-3.6654;3.5797,1.6185,-1.4702;-3.4041,1.6183,1.2108;1.758,-1.4402,3.6465;1.494,1.2389,-3.4473;-1.6237,1.4891,3.4519;-.1678,-.0713,-.0457;-3.9512,-.2203,3.6677;-1.5351,3.6918,1.6987;1.3724,-3.521,1.559;1.3084,3.3202,-1.6288;-.0087,-3.681,4.0706;-1.2193,.0992,-2.3358;-2.5832,-1.3396,.3025;.8558,-2.8967,-2.0036;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">71</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">71</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.97241296</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03874508</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">0.00761215</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">0.03874508</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00761215</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09703548</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">0.01979695</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 x3="0.373749"
                                 y3="-2.434742"
                                 z3="2.880024"/>
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                                 z3="2.838706"/>
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                                 z3="-0.125172"/>
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                                 z3="2.48762"/>
                           <atom elementType="Ta"
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                                 x3="2.80509"
                                 y3="-0.02411"
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                           <atom elementType="W"
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                                 y3="0.316165"
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                                 y3="-1.071406"
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                                 y3="0.937924"
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                                 y3="-1.024246"
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                           <atom elementType="O"
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                                 z3="3.660518"/>
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                                 y3="1.361938"
                                 z3="1.195014"/>
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                                 x3="0.224503"
                                 y3="3.672695"
                                 z3="4.139648"/>
                           <atom elementType="O"
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                                 x3="1.326781"
                                 y3="1.178888"
                                 z3="3.220482"/>
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                                 x3="-1.125047"
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                                 x3="-0.388461"
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                                 z3="-3.861199"/>
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                                 id="a27"
                                 x3="1.056698"
                                 y3="3.225527"
                                 z3="1.293845"/>
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                                 id="a28"
                                 x3="0.889636"
                                 y3="-3.309542"
                                 z3="-1.110995"/>
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                                 id="a29"
                                 x3="3.376886"
                                 y3="-1.470157"
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                                 x3="3.945695"
                                 y3="-0.091432"
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                           <atom elementType="O"
                                 id="a31"
                                 x3="3.57101"
                                 y3="1.616274"
                                 z3="-1.478814"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.416309"
                                 y3="1.614413"
                                 z3="1.22923"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.764767"
                                 y3="-1.44268"
                                 z3="3.659338"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.480944"
                                 y3="1.235355"
                                 z3="-3.447233"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.590932"
                                 y3="1.462221"
                                 z3="3.439721"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.165833"
                                 y3="-0.059175"
                                 z3="-0.047388"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.915961"
                                 y3="-0.242712"
                                 z3="3.629617"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.528749"
                                 y3="3.696833"
                                 z3="1.724136"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.377727"
                                 y3="-3.527127"
                                 z3="1.586097"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.301724"
                                 y3="3.323207"
                                 z3="-1.637895"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.013606"
                                 y3="-3.689172"
                                 z3="4.10042"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.252673"
                                 y3="0.110929"
                                 z3="-2.351593"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-2.577281"
                                 y3="-1.249566"
                                 z3="0.205468"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.896908"
                                 y3="-2.89782"
                                 z3="-1.992405"/>
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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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">72</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.97537317</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01497075</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">0.00455560</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">0.01497075</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00455560</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.13485471</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                                 y3="-0.031402"
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                           <bond atomRefs2="a6 a8" order="S"/>
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                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">73</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.97253601</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03511403</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">0.00772526</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">
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                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00772526</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03905912</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                        <property dictRef="cml:molmass">
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                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3689,-2.433,2.8725;3.6659,-3.8437,-.2457;-.0091,2.3123,-2.5544;-.0089,2.4587,2.8314;2.3729,-2.6618,.1175;2.399,2.7262,.0321;-2.4153,2.8694,.4016;3.5571,4.0792,.1384;-3.5952,4.0512,-.1103;-2.5996,.0195,2.4816;2.8048,-.0309,2.5486;2.7795,.3136,-2.4373;.8008,-1.0677,.9715;-1.2318,-.8773,-1.0567;.9512,.9292,-.9451;-.9695,1.0622,.9962;-3.1829,-1.0506,.8913;2.6005,-1.2527,-1.4876;4.1768,.2315,3.6594;3.1298,1.3554,1.1908;.222,3.6599,4.1355;1.3255,1.1691,3.2039;-1.1351,.824,-3.0146;-1.2773,-1.3902,2.8664;-1.3678,2.7488,-1.1935;-.3995,3.3799,-3.8704;1.0618,3.2129,1.2912;.8943,-3.305,-1.111;3.3873,-1.4759,1.3487;3.947,-.0913,-3.6701;3.5676,1.6167,-1.4793;-3.4538,1.6203,1.2421;1.767,-1.4494,3.6523;1.4751,1.2284,-3.443;-1.5715,1.4502,3.4148;-.1568,-.0624,-.0407;-3.941,-.2545,3.6248;-1.5335,3.6913,1.728;1.3773,-3.5275,1.5817;1.2928,3.3131,-1.6354;-.0404,-3.6818,4.0911;-1.2471,.0849,-2.3169;-2.5042,-1.1257,.1711;.8488,-2.8077,-1.9472;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">75</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">75</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.97730208</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01720379</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">0.00412580</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">0.01720379</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00412580</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09156863</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">0.02017514</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="Ta"
                                 id="a1"
                                 x3="0.374436"
                                 y3="-2.442433"
                                 z3="2.888718"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.664705"
                                 y3="-3.85993"
                                 z3="-0.228394"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.018615"
                                 y3="2.3051"
                                 z3="-2.549411"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.016462"
                                 y3="2.453377"
                                 z3="2.82807"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.379996"
                                 y3="-2.663935"
                                 z3="0.12754"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.392464"
                                 y3="2.728701"
                                 z3="0.032429"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.417727"
                                 y3="2.886594"
                                 z3="0.401629"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.547851"
                                 y3="4.083126"
                                 z3="0.134492"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.592922"
                                 y3="4.084513"
                                 z3="-0.086224"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.578467"
                                 y3="-0.000195"
                                 z3="2.448405"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.813172"
                                 y3="-0.033673"
                                 z3="2.543015"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.783335"
                                 y3="0.314148"
                                 z3="-2.441089"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.828067"
                                 y3="-1.072555"
                                 z3="0.972425"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.203189"
                                 y3="-0.901015"
                                 z3="-1.043115"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.953571"
                                 y3="0.926854"
                                 z3="-0.944828"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.966797"
                                 y3="1.051129"
                                 z3="0.985699"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.222662"
                                 y3="-1.039047"
                                 z3="0.876651"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.602846"
                                 y3="-1.247411"
                                 z3="-1.487582"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.187206"
                                 y3="0.243244"
                                 z3="3.648317"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.123668"
                                 y3="1.358194"
                                 z3="1.185377"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.206849"
                                 y3="3.649819"
                                 z3="4.138071"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.330355"
                                 y3="1.163091"
                                 z3="3.188929"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.133664"
                                 y3="0.802135"
                                 z3="-2.982775"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.283192"
                                 y3="-1.419489"
                                 z3="2.888696"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.373279"
                                 y3="2.758317"
                                 z3="-1.197688"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.401474"
                                 y3="3.351527"
                                 z3="-3.885299"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.060346"
                                 y3="3.207862"
                                 z3="1.297627"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.907768"
                                 y3="-3.298448"
                                 z3="-1.120154"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.404991"
                                 y3="-1.472734"
                                 z3="1.335364"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.948916"
                                 y3="-0.090529"
                                 z3="-3.675542"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.567514"
                                 y3="1.621419"
                                 z3="-1.480966"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.436782"
                                 y3="1.637834"
                                 z3="1.245854"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.784189"
                                 y3="-1.457675"
                                 z3="3.650632"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.46762"
                                 y3="1.222587"
                                 z3="-3.43871"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.577163"
                                 y3="1.432213"
                                 z3="3.419575"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.136985"
                                 y3="-0.069352"
                                 z3="-0.030084"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.937232"
                                 y3="-0.273459"
                                 z3="3.574845"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.518483"
                                 y3="3.690215"
                                 z3="1.728207"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.389697"
                                 y3="-3.529886"
                                 z3="1.59376"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.281889"
                                 y3="3.308518"
                                 z3="-1.640556"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.034509"
                                 y3="-3.684314"
                                 z3="4.112541"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.2351"
                                 y3="0.059822"
                                 z3="-2.287851"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-2.595777"
                                 y3="-1.035035"
                                 z3="0.105594"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.812531"
                                 y3="-2.730524"
                                 z3="-1.906595"/>
                        </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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3744,-2.4424,2.8887;3.6647,-3.8599,-.2284;-.0186,2.3051,-2.5494;-.0165,2.4534,2.8281;2.38,-2.6639,.1275;2.3925,2.7287,.0324;-2.4177,2.8866,.4016;3.5479,4.0831,.1345;-3.5929,4.0845,-.0862;-2.5785,-.0002,2.4484;2.8132,-.0337,2.543;2.7833,.3141,-2.4411;.8281,-1.0726,.9724;-1.2032,-.901,-1.0431;.9536,.9269,-.9448;-.9668,1.0511,.9857;-3.2227,-1.039,.8767;2.6028,-1.2474,-1.4876;4.1872,.2432,3.6483;3.1237,1.3582,1.1854;.2068,3.6498,4.1381;1.3304,1.1631,3.1889;-1.1337,.8021,-2.9828;-1.2832,-1.4195,2.8887;-1.3733,2.7583,-1.1977;-.4015,3.3515,-3.8853;1.0603,3.2079,1.2976;.9078,-3.2984,-1.1202;3.405,-1.4727,1.3354;3.9489,-.0905,-3.6755;3.5675,1.6214,-1.481;-3.4368,1.6378,1.2459;1.7842,-1.4577,3.6506;1.4676,1.2226,-3.4387;-1.5772,1.4322,3.4196;-.137,-.0694,-.0301;-3.9372,-.2735,3.5748;-1.5185,3.6902,1.7282;1.3897,-3.5299,1.5938;1.2819,3.3085,-1.6406;-.0345,-3.6843,4.1125;-1.2351,.0598,-2.2879;-2.5958,-1.035,.1056;.8125,-2.7305,-1.9066;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">76</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">76</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.97913067</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01270604</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">0.00324920</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">0.01270604</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00324920</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.25061275</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">0.05223642</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="Ta"
                                 id="a1"
                                 x3="0.397008"
                                 y3="-2.410984"
                                 z3="2.915508"/>
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                                 id="a2"
                                 x3="3.625467"
                                 y3="-3.895203"
                                 z3="-0.19138"/>
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                                 x3="0.011478"
                                 y3="2.3036"
                                 z3="-2.567175"/>
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                                 x3="-0.027772"
                                 y3="2.44044"
                                 z3="2.849979"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.365844"
                                 y3="-2.676736"
                                 z3="0.151618"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.390128"
                                 y3="2.745288"
                                 z3="0.025177"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.398249"
                                 y3="2.875418"
                                 z3="0.406427"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.533627"
                                 y3="4.11086"
                                 z3="0.11284"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.589201"
                                 y3="4.050104"
                                 z3="-0.105747"/>
                           <atom elementType="Ta"
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                                 x3="-2.513746"
                                 y3="-0.049034"
                                 z3="2.392376"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.855904"
                                 y3="-0.024902"
                                 z3="2.554162"/>
                           <atom elementType="W"
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                                 x3="2.794487"
                                 y3="0.302863"
                                 z3="-2.43687"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.846886"
                                 y3="-1.061811"
                                 z3="0.990809"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.280242"
                                 y3="-0.817536"
                                 z3="-1.007102"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.966615"
                                 y3="0.930718"
                                 z3="-0.949824"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.934451"
                                 y3="1.051971"
                                 z3="0.973941"/>
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                                 x3="-3.291285"
                                 y3="-1.030767"
                                 z3="0.822456"/>
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                                 x3="2.589472"
                                 y3="-1.268963"
                                 z3="-1.487113"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.224192"
                                 y3="0.248542"
                                 z3="3.66149"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.174687"
                                 y3="1.374112"
                                 z3="1.192086"/>
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                                 x3="0.174181"
                                 y3="3.611955"
                                 z3="4.17811"/>
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                                 x3="1.345449"
                                 y3="1.169623"
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                                 x3="-1.114484"
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                                 x3="-1.143245"
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                                 x3="-1.367642"
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                                 id="a26"
                                 x3="-0.39871"
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                                 z3="-3.864203"/>
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                                 id="a27"
                                 x3="1.0216"
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                                 x3="0.883305"
                                 y3="-3.297104"
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                                 z3="-1.4923"/>
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                                 x3="-3.358715"
                                 y3="1.614777"
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                                 id="a33"
                                 x3="1.809955"
                                 y3="-1.439203"
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                                 x3="1.472793"
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                                 z3="-3.455843"/>
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                                 z3="-0.036519"/>
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                                 y3="-0.453333"
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                                 id="a38"
                                 x3="-1.551011"
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                                 z3="1.750876"/>
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                                 id="a39"
                                 x3="1.360879"
                                 y3="-3.544036"
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                                 id="a40"
                                 x3="1.304424"
                                 y3="3.316153"
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                                 x3="0.561919"
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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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.397,-2.411,2.9155;3.6255,-3.8952,-.1914;.0115,2.3036,-2.5672;-.0278,2.4404,2.85;2.3658,-2.6767,.1516;2.3901,2.7453,.0252;-2.3982,2.8754,.4064;3.5336,4.1109,.1128;-3.5892,4.0501,-.1057;-2.5137,-.049,2.3924;2.8559,-.0249,2.5542;2.7945,.3029,-2.4369;.8469,-1.0618,.9908;-1.2802,-.8175,-1.0071;.9666,.9307,-.9498;-.9345,1.052,.9739;-3.2913,-1.0308,.8225;2.5895,-1.269,-1.4871;4.2242,.2485,3.6615;3.1747,1.3741,1.1921;.1742,3.612,4.1781;1.3454,1.1696,3.1847;-1.1145,.825,-3.0232;-1.1432,-1.3348,2.7606;-1.3676,2.7546,-1.1923;-.3987,3.3834,-3.8642;1.0216,3.2404,1.295;.8833,-3.2971,-1.0877;3.4389,-1.4795,1.3434;3.9508,-.1163,-3.6721;3.5686,1.6125,-1.4923;-3.3587,1.6148,1.1922;1.81,-1.4392,3.6757;1.4728,1.1966,-3.4558;-1.6148,1.3431,3.4685;-.1086,-.0606,-.0365;-3.8217,-.4533,3.5273;-1.551,3.6954,1.7509;1.3609,-3.544,1.6243;1.3044,3.3162,-1.6553;-.0119,-3.6436,4.1479;-1.2651,.0866,-2.3269;-2.7444,-1.0534,-.0279;.5619,-2.6079,-1.6922;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">77</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">77</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.96588729</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05149750</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">0.01452877</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">0.05149750</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01452877</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08793322</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">0.02054728</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="Ta"
                                 id="a1"
                                 x3="0.40707"
                                 y3="-2.431931"
                                 z3="2.902159"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.648396"
                                 y3="-3.88301"
                                 z3="-0.213766"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.009229"
                                 y3="2.295168"
                                 z3="-2.56299"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.031321"
                                 y3="2.441522"
                                 z3="2.843713"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.380397"
                                 y3="-2.670127"
                                 z3="0.132812"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.384751"
                                 y3="2.735997"
                                 z3="0.040779"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.399042"
                                 y3="2.882387"
                                 z3="0.394966"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.525132"
                                 y3="4.101513"
                                 z3="0.137797"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.578754"
                                 y3="4.06619"
                                 z3="-0.121313"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.552716"
                                 y3="-0.025542"
                                 z3="2.414026"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.842862"
                                 y3="-0.02712"
                                 z3="2.54252"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.798722"
                                 y3="0.307774"
                                 z3="-2.435907"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.844119"
                                 y3="-1.072433"
                                 z3="0.979306"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.235997"
                                 y3="-0.863167"
                                 z3="-1.036603"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.967403"
                                 y3="0.922268"
                                 z3="-0.949303"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.94703"
                                 y3="1.046222"
                                 z3="0.977406"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.314506"
                                 y3="-1.010743"
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                           <atom elementType="O"
                                 id="a18"
                                 x3="2.597518"
                                 y3="-1.257327"
                                 z3="-1.49321"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.212849"
                                 y3="0.24765"
                                 z3="3.650164"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.153813"
                                 y3="1.373915"
                                 z3="1.192796"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.17889"
                                 y3="3.623545"
                                 z3="4.163736"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.335645"
                                 y3="1.166671"
                                 z3="3.187824"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.113009"
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                                 z3="-3.016584"/>
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                                 id="a24"
                                 x3="-1.191561"
                                 y3="-1.36243"
                                 z3="2.801144"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.358988"
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                                 z3="-1.199119"/>
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                                 id="a26"
                                 x3="-0.398414"
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                                 z3="-3.86897"/>
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                                 id="a27"
                                 x3="1.034426"
                                 y3="3.213588"
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                                 id="a28"
                                 x3="0.907779"
                                 y3="-3.301449"
                                 z3="-1.113032"/>
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                                 id="a29"
                                 x3="3.429757"
                                 y3="-1.468315"
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                                 id="a30"
                                 x3="3.964259"
                                 y3="-0.101135"
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                                 id="a31"
                                 x3="3.569697"
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                                 z3="-1.479337"/>
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                                 id="a32"
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                                 id="a33"
                                 x3="1.815188"
                                 y3="-1.450339"
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                                 id="a34"
                                 x3="1.47545"
                                 y3="1.200038"
                                 z3="-3.449458"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.608207"
                                 y3="1.392215"
                                 z3="3.451938"/>
                           <atom elementType="As"
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                                 x3="-0.115944"
                                 y3="-0.082617"
                                 z3="-0.037302"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.877467"
                                 y3="-0.383985"
                                 z3="3.558213"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.533757"
                                 y3="3.696229"
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                                 x3="1.385795"
                                 y3="-3.540444"
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                                 x3="1.298259"
                                 y3="3.308852"
                                 z3="-1.645952"/>
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                                 x3="0.007303"
                                 y3="-3.670708"
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                                 x3="-1.246176"
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                                 z3="-2.313702"/>
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                                 x3="-2.720028"
                                 y3="-1.016677"
                                 z3="0.060047"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.58895"
                                 y3="-2.609112"
                                 z3="-1.720633"/>
                        </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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.4071,-2.4319,2.9022;3.6484,-3.883,-.2138;.0092,2.2952,-2.563;-.0313,2.4415,2.8437;2.3804,-2.6701,.1328;2.3848,2.736,.0408;-2.399,2.8824,.395;3.5251,4.1015,.1378;-3.5788,4.0662,-.1213;-2.5527,-.0255,2.414;2.8429,-.0271,2.5425;2.7987,.3078,-2.4359;.8441,-1.0724,.9793;-1.236,-.8632,-1.0366;.9674,.9223,-.9493;-.947,1.0462,.9774;-3.3145,-1.0107,.8536;2.5975,-1.2573,-1.4932;4.2128,.2477,3.6502;3.1538,1.3739,1.1928;.1789,3.6235,4.1637;1.3356,1.1667,3.1878;-1.113,.8044,-3.0166;-1.1916,-1.3624,2.8011;-1.359,2.7379,-1.1991;-.3984,3.3689,-3.869;1.0344,3.2136,1.2959;.9078,-3.3014,-1.113;3.4298,-1.4683,1.3278;3.9643,-.1011,-3.6692;3.5697,1.6185,-1.4793;-3.4072,1.6204,1.2118;1.8152,-1.4503,3.6573;1.4754,1.2,-3.4495;-1.6082,1.3922,3.4519;-.1159,-.0826,-.0373;-3.8775,-.384,3.5582;-1.5338,3.6962,1.7393;1.3858,-3.5404,1.6012;1.2983,3.3089,-1.646;.0073,-3.6707,4.1337;-1.2462,.0754,-2.3137;-2.72,-1.0167,.06;.5889,-2.6091,-1.7206;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">78</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">78</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.97761588</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01982711</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">0.00545542</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">0.01982711</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00545542</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10182670</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">0.02246845</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 y3="-2.439019"
                                 z3="2.903791"/>
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                                 z3="-2.554192"/>
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                                 z3="2.837393"/>
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                                 x3="2.376633"
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                                 x3="-3.566729"
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                                 z3="-0.134976"/>
                           <atom elementType="Ta"
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                                 y3="-0.002375"
                                 z3="2.422994"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.83124"
                                 y3="-0.025746"
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                           <atom elementType="W"
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                                 y3="0.317397"
                                 z3="-2.439441"/>
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                                 x3="0.834909"
                                 y3="-1.069317"
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                           <atom elementType="O"
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                                 x3="-1.239816"
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                                 y3="0.918617"
                                 z3="-0.944174"/>
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                           <atom elementType="O"
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                                 y3="-1.054631"
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                           <atom elementType="O"
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                                 y3="-1.250912"
                                 z3="-1.505922"/>
                           <atom elementType="O"
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                                 z3="3.637524"/>
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                                 y3="1.368605"
                                 z3="1.19166"/>
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                                 y3="3.64712"
                                 z3="4.143276"/>
                           <atom elementType="O"
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                                 x3="1.334197"
                                 y3="1.164086"
                                 z3="3.213449"/>
                           <atom elementType="O"
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                                 x3="-1.119533"
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                                 x3="-1.282118"
                                 y3="-1.425837"
                                 z3="2.90297"/>
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                                 x3="-1.359198"
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                                 z3="-1.207966"/>
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                                 id="a26"
                                 x3="-0.394991"
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                                 z3="-3.872965"/>
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                                 id="a27"
                                 x3="1.056804"
                                 y3="3.193577"
                                 z3="1.304616"/>
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                                 id="a28"
                                 x3="0.900313"
                                 y3="-3.286518"
                                 z3="-1.123037"/>
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                                 id="a29"
                                 x3="3.416923"
                                 y3="-1.460047"
                                 z3="1.310789"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.960689"
                                 y3="-0.079408"
                                 z3="-3.676358"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.575432"
                                 y3="1.621476"
                                 z3="-1.479885"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.41665"
                                 y3="1.644625"
                                 z3="1.207112"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.816504"
                                 y3="-1.454635"
                                 z3="3.64741"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.476643"
                                 y3="1.216934"
                                 z3="-3.442408"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.62198"
                                 y3="1.424911"
                                 z3="3.446131"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.1236"
                                 y3="-0.087198"
                                 z3="-0.019929"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.920593"
                                 y3="-0.320856"
                                 z3="3.539221"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.514712"
                                 y3="3.686652"
                                 z3="1.71142"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.398828"
                                 y3="-3.526675"
                                 z3="1.598406"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.297025"
                                 y3="3.31142"
                                 z3="-1.639341"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.023472"
                                 y3="-3.679673"
                                 z3="4.135681"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.226824"
                                 y3="0.072228"
                                 z3="-2.312988"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-2.64447"
                                 y3="-1.095739"
                                 z3="0.06937"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.574396"
                                 y3="-2.618946"
                                 z3="-1.750105"/>
                        </atomArray>
                        <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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">79</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.97944571</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01843588</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cgradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
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                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00509121</scalar>
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                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.12633690</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                  <module cmlx:templateRef="coordinates">
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                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
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                  <module cmlx:templateRef="convergence">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">80</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
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                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02790927</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cgradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
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                     <list cmlx:templateRef="gradrms">
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                     </list>
                     <list cmlx:templateRef="cstepmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                  </module>
                  <module cmlx:templateRef="coordinates">
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                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
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                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.3947,-2.4436,2.8936;3.6397,-3.8768,-.2599;-.0045,2.3006,-2.5487;-.0265,2.4432,2.8324;2.3797,-2.6623,.1127;2.4035,2.7332,.0407;-2.4216,2.8768,.3906;3.5462,4.0956,.1547;-3.596,4.0697,-.112;-2.579,-.0013,2.4353;2.8205,-.0291,2.5343;2.8008,.3224,-2.4418;.8433,-1.0701,.9774;-1.1553,-.9264,-1.0678;.9685,.9238,-.947;-.9599,1.0316,.9917;-3.2105,-1.0542,.8651;2.6236,-1.2477,-1.5076;4.1956,.2346,3.6402;3.1464,1.366,1.1881;.1988,3.6417,4.1375;1.3323,1.161,3.1962;-1.1211,.798,-2.9999;-1.2653,-1.402,2.8715;-1.3699,2.7387,-1.1985;-.3986,3.3436,-3.8828;1.0633,3.189,1.302;.9006,-3.2843,-1.12;3.414,-1.4652,1.3093;3.9769,-.0662,-3.672;3.579,1.6309,-1.4787;-3.459,1.6346,1.2349;1.8013,-1.4571,3.6447;1.4789,1.223,-3.4419;-1.6151,1.4393,3.4316;-.1183,-.0819,-.0321;-3.9394,-.3001,3.5586;-1.5183,3.68,1.718;1.3941,-3.527,1.5981;1.2924,3.3111,-1.6412;-.0005,-3.6791,4.13;-1.2132,.05,-2.3128;-2.5994,-1.052,.0903;.5106,-2.5931,-1.6892;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">82</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">82</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98214144</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01143480</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">0.00237702</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">0.01143480</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00237702</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08112487</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">0.01211533</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="Ta"
                                 id="a1"
                                 x3="0.401428"
                                 y3="-2.440355"
                                 z3="2.899968"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.628125"
                                 y3="-3.881334"
                                 z3="-0.262115"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.003804"
                                 y3="2.304218"
                                 z3="-2.548911"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.02606"
                                 y3="2.438463"
                                 z3="2.83192"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.375235"
                                 y3="-2.662081"
                                 z3="0.112946"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.406149"
                                 y3="2.734627"
                                 z3="0.039628"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.423848"
                                 y3="2.877098"
                                 z3="0.388496"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.547836"
                                 y3="4.098091"
                                 z3="0.156068"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.598844"
                                 y3="4.070676"
                                 z3="-0.111532"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.574269"
                                 y3="-0.006245"
                                 z3="2.423366"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.824701"
                                 y3="-0.029286"
                                 z3="2.534302"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.801454"
                                 y3="0.32299"
                                 z3="-2.442959"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.846104"
                                 y3="-1.06598"
                                 z3="0.982009"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.163579"
                                 y3="-0.921453"
                                 z3="-1.058286"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.96934"
                                 y3="0.922969"
                                 z3="-0.949711"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.957571"
                                 y3="1.031598"
                                 z3="0.986359"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.187002"
                                 y3="-1.065298"
                                 z3="0.84837"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.618982"
                                 y3="-1.248993"
                                 z3="-1.511868"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.201322"
                                 y3="0.234121"
                                 z3="3.637289"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.14896"
                                 y3="1.365805"
                                 z3="1.187609"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.196654"
                                 y3="3.632959"
                                 z3="4.13982"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.333141"
                                 y3="1.159764"
                                 z3="3.195579"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.115523"
                                 y3="0.802567"
                                 z3="-2.999823"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.254267"
                                 y3="-1.400447"
                                 z3="2.863819"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.371918"
                                 y3="2.748127"
                                 z3="-1.199457"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.400739"
                                 y3="3.34933"
                                 z3="-3.881097"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.06278"
                                 y3="3.190235"
                                 z3="1.301574"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.88669"
                                 y3="-3.278392"
                                 z3="-1.108992"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.416554"
                                 y3="-1.465538"
                                 z3="1.306436"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.975141"
                                 y3="-0.06566"
                                 z3="-3.675726"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.578687"
                                 y3="1.629933"
                                 z3="-1.477433"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.456687"
                                 y3="1.62995"
                                 z3="1.22622"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.808896"
                                 y3="-1.45389"
                                 z3="3.64889"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.481373"
                                 y3="1.226322"
                                 z3="-3.442841"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.616015"
                                 y3="1.428334"
                                 z3="3.427679"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.112022"
                                 y3="-0.080598"
                                 z3="-0.031038"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.935501"
                                 y3="-0.326222"
                                 z3="3.536004"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.521901"
                                 y3="3.678595"
                                 z3="1.717379"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.396934"
                                 y3="-3.526204"
                                 z3="1.604917"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.293768"
                                 y3="3.313144"
                                 z3="-1.639672"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.009325"
                                 y3="-3.674235"
                                 z3="4.137964"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.198654"
                                 y3="0.046947"
                                 z3="-2.318979"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-2.587696"
                                 y3="-1.051181"
                                 z3="0.059461"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.429821"
                                 y3="-2.574771"
                                 z3="-1.608035"/>
                        </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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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 a17" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.4014,-2.4404,2.9;3.6281,-3.8813,-.2621;-.0038,2.3042,-2.5489;-.0261,2.4385,2.8319;2.3752,-2.6621,.1129;2.4061,2.7346,.0396;-2.4238,2.8771,.3885;3.5478,4.0981,.1561;-3.5988,4.0707,-.1115;-2.5743,-.0062,2.4234;2.8247,-.0293,2.5343;2.8015,.323,-2.443;.8461,-1.066,.982;-1.1636,-.9215,-1.0583;.9693,.923,-.9497;-.9576,1.0316,.9864;-3.187,-1.0653,.8484;2.619,-1.249,-1.5119;4.2013,.2341,3.6373;3.149,1.3658,1.1876;.1967,3.633,4.1398;1.3331,1.1598,3.1956;-1.1155,.8026,-2.9998;-1.2543,-1.4004,2.8638;-1.3719,2.7481,-1.1995;-.4007,3.3493,-3.8811;1.0628,3.1902,1.3016;.8867,-3.2784,-1.109;3.4166,-1.4655,1.3064;3.9751,-.0657,-3.6757;3.5787,1.6299,-1.4774;-3.4567,1.63,1.2262;1.8089,-1.4539,3.6489;1.4814,1.2263,-3.4428;-1.616,1.4283,3.4277;-.112,-.0806,-.031;-3.9355,-.3262,3.536;-1.5219,3.6786,1.7174;1.3969,-3.5262,1.6049;1.2938,3.3131,-1.6397;.0093,-3.6742,4.138;-1.1987,.0469,-2.319;-2.5877,-1.0512,.0595;.4298,-2.5748,-1.608;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">83</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">83</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98289678</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00726889</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">0.00201201</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">0.00726889</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00201201</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.16105460</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">0.02301522</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="Ta"
                                 id="a1"
                                 x3="0.414501"
                                 y3="-2.441647"
                                 z3="2.909962"/>
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                                 x3="3.59278"
                                 y3="-3.886669"
                                 z3="-0.286603"/>
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                                 x3="0.00987"
                                 y3="2.310041"
                                 z3="-2.555581"/>
                           <atom elementType="Ta"
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                                 x3="-0.033201"
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                                 z3="2.829899"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.36192"
                                 y3="-2.656071"
                                 z3="0.102806"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.407206"
                                 y3="2.74137"
                                 z3="0.044442"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.420924"
                                 y3="2.869924"
                                 z3="0.377452"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.545846"
                                 y3="4.111923"
                                 z3="0.165946"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.59157"
                                 y3="4.060988"
                                 z3="-0.123324"/>
                           <atom elementType="Ta"
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                                 x3="-2.56336"
                                 y3="-0.018998"
                                 z3="2.416418"/>
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                                 x3="2.831633"
                                 y3="-0.028054"
                                 z3="2.528212"/>
                           <atom elementType="W"
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                                 x3="2.81192"
                                 y3="0.333044"
                                 z3="-2.444259"/>
                           <atom elementType="O"
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                                 x3="0.850204"
                                 y3="-1.060108"
                                 z3="0.985388"/>
                           <atom elementType="O"
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                                 x3="-1.131757"
                                 y3="-0.950262"
                                 z3="-1.055667"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.97874"
                                 y3="0.931672"
                                 z3="-0.948588"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.953326"
                                 y3="1.015539"
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                                 x3="-3.201249"
                                 y3="-1.072454"
                                 z3="0.843588"/>
                           <atom elementType="O"
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                                 x3="2.616503"
                                 y3="-1.240778"
                                 z3="-1.521012"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.211267"
                                 y3="0.228405"
                                 z3="3.62631"/>
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                                 id="a20"
                                 x3="3.156844"
                                 y3="1.369661"
                                 z3="1.187026"/>
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                                 id="a21"
                                 x3="0.182357"
                                 y3="3.627508"
                                 z3="4.142575"/>
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                                 x3="1.335515"
                                 y3="1.15964"
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                                 x3="-0.389481"
                                 y3="3.360966"
                                 z3="-3.884675"/>
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                                 id="a27"
                                 x3="1.060125"
                                 y3="3.188597"
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                                 id="a28"
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                                 y3="-3.25392"
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                                 x3="-3.448341"
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                                 z3="1.213624"/>
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                                 id="a33"
                                 x3="1.82437"
                                 y3="-1.454605"
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                                 id="a34"
                                 x3="1.492891"
                                 y3="1.23512"
                                 z3="-3.446516"/>
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                                 id="a35"
                                 x3="-1.618598"
                                 y3="1.420648"
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                                 y3="-0.337525"
                                 z3="3.511897"/>
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                                 id="a38"
                                 x3="-1.523957"
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                                 id="a39"
                                 x3="1.400604"
                                 y3="-3.520089"
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                                 x3="1.300038"
                                 y3="3.324348"
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                                 x3="0.040134"
                                 y3="-3.672559"
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                                 x3="-2.612263"
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                                 x3="0.270076"
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                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" 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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.4145,-2.4416,2.91;3.5928,-3.8867,-.2866;.0099,2.31,-2.5556;-.0332,2.4336,2.8299;2.3619,-2.6561,.1028;2.4072,2.7414,.0444;-2.4209,2.8699,.3775;3.5458,4.1119,.1659;-3.5916,4.061,-.1233;-2.5634,-.019,2.4164;2.8316,-.0281,2.5282;2.8119,.333,-2.4443;.8502,-1.0601,.9854;-1.1318,-.9503,-1.0557;.9787,.9317,-.9486;-.9533,1.0155,.9822;-3.2012,-1.0725,.8436;2.6165,-1.2408,-1.521;4.2113,.2284,3.6263;3.1568,1.3697,1.187;.1824,3.6275,4.1426;1.3355,1.1596,3.1949;-1.1031,.8123,-3.0166;-1.2484,-1.4095,2.881;-1.3642,2.7409,-1.2029;-.3895,3.361,-3.8847;1.0601,3.1886,1.3019;.8553,-3.2539,-1.1007;3.4157,-1.4631,1.2919;3.9934,-.0511,-3.6724;3.5805,1.6401,-1.4762;-3.4483,1.6155,1.2136;1.8244,-1.4546,3.6493;1.4929,1.2351,-3.4465;-1.6186,1.4206,3.4232;-.0959,-.0844,-.0339;-3.9243,-.3375,3.5119;-1.524,3.6698,1.7088;1.4006,-3.5201,1.6096;1.3,3.3243,-1.6397;.0401,-3.6726,4.1514;-1.1829,.0596,-2.3327;-2.6123,-1.0844,.0342;.2701,-2.5562,-1.447;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">84</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">84</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98433534</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01493702</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">0.00383095</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">0.01493702</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00383095</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.30008685</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">0.03694875</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="Ta"
                                 id="a1"
                                 x3="0.429402"
                                 y3="-2.449002"
                                 z3="2.891215"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.542374"
                                 y3="-3.96638"
                                 z3="-0.185906"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.009956"
                                 y3="2.329425"
                                 z3="-2.55608"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.030507"
                                 y3="2.426794"
                                 z3="2.823455"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.37156"
                                 y3="-2.646087"
                                 z3="0.081581"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.409913"
                                 y3="2.755867"
                                 z3="0.043776"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.424484"
                                 y3="2.871679"
                                 z3="0.375704"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.543709"
                                 y3="4.12802"
                                 z3="0.171943"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.598401"
                                 y3="4.065416"
                                 z3="-0.11758"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.554309"
                                 y3="-0.030498"
                                 z3="2.393569"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.839238"
                                 y3="-0.026537"
                                 z3="2.515287"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.817099"
                                 y3="0.358675"
                                 z3="-2.450576"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.86227"
                                 y3="-1.058281"
                                 z3="0.972636"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.110516"
                                 y3="-0.950479"
                                 z3="-1.079633"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.983154"
                                 y3="0.945143"
                                 z3="-0.957756"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.948914"
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                                 z3="0.968749"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.169003"
                                 y3="-1.083348"
                                 z3="0.813609"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.616654"
                                 y3="-1.215031"
                                 z3="-1.532185"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.21879"
                                 y3="0.223629"
                                 z3="3.615821"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.164865"
                                 y3="1.377834"
                                 z3="1.180876"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.183517"
                                 y3="3.613981"
                                 z3="4.141165"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.339724"
                                 y3="1.158694"
                                 z3="3.178938"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.094926"
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                                 z3="-3.019291"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.2346"
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                                 z3="2.859486"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.367331"
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                                 z3="-1.205311"/>
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                                 id="a26"
                                 x3="-0.394989"
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                                 z3="-3.880137"/>
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                                 id="a27"
                                 x3="1.061328"
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                                 id="a28"
                                 x3="0.83222"
                                 y3="-3.254538"
                                 z3="-1.071909"/>
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                                 id="a29"
                                 x3="3.418001"
                                 y3="-1.454959"
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                                 id="a30"
                                 x3="3.998473"
                                 y3="-0.018761"
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                                 id="a31"
                                 x3="3.58549"
                                 y3="1.662703"
                                 z3="-1.476585"/>
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                                 id="a32"
                                 x3="-3.448264"
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                                 id="a33"
                                 x3="1.833663"
                                 y3="-1.457781"
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                                 id="a34"
                                 x3="1.498164"
                                 y3="1.263275"
                                 z3="-3.450814"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.618199"
                                 y3="1.405482"
                                 z3="3.413095"/>
                           <atom elementType="As"
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                                 x3="-0.085637"
                                 y3="-0.080074"
                                 z3="-0.048311"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.923508"
                                 y3="-0.370241"
                                 z3="3.47873"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.525728"
                                 y3="3.665919"
                                 z3="1.710325"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.423386"
                                 y3="-3.531669"
                                 z3="1.586204"/>
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                                 id="a40"
                                 x3="1.298043"
                                 y3="3.342611"
                                 z3="-1.635867"/>
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                                 id="a41"
                                 x3="0.057303"
                                 y3="-3.683877"
                                 z3="4.131133"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.163691"
                                 y3="0.063304"
                                 z3="-2.346795"/>
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                                 x3="-2.582888"
                                 y3="-1.075856"
                                 z3="0.007333"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.071099"
                                 y3="-2.645824"
                                 z3="-1.146893"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" 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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.4294,-2.449,2.8912;3.5424,-3.9664,-.1859;.01,2.3294,-2.5561;-.0305,2.4268,2.8235;2.3716,-2.6461,.0816;2.4099,2.7559,.0438;-2.4245,2.8717,.3757;3.5437,4.128,.1719;-3.5984,4.0654,-.1176;-2.5543,-.0305,2.3936;2.8392,-.0265,2.5153;2.8171,.3587,-2.4506;.8623,-1.0583,.9726;-1.1105,-.9505,-1.0796;.9832,.9451,-.9578;-.9489,1.0143,.9687;-3.169,-1.0833,.8136;2.6167,-1.215,-1.5322;4.2188,.2236,3.6158;3.1649,1.3778,1.1809;.1835,3.614,4.1412;1.3397,1.1587,3.1789;-1.0949,.8266,-3.0193;-1.2346,-1.4184,2.8595;-1.3673,2.752,-1.2053;-.395,3.3829,-3.8801;1.0613,3.1936,1.3019;.8322,-3.2545,-1.0719;3.418,-1.455,1.2798;3.9985,-.0188,-3.6805;3.5855,1.6627,-1.4766;-3.4483,1.6084,1.201;1.8337,-1.4578,3.6304;1.4982,1.2633,-3.4508;-1.6182,1.4055,3.4131;-.0856,-.0801,-.0483;-3.9235,-.3702,3.4787;-1.5257,3.6659,1.7103;1.4234,-3.5317,1.5862;1.298,3.3426,-1.6359;.0573,-3.6839,4.1311;-1.1637,.0633,-2.3468;-2.5829,-1.0759,.0073;.0711,-2.6458,-1.1469;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">85</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">85</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98358251</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01684726</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">0.00441720</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">0.01684726</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00441720</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10628450</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">0.01542897</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="Ta"
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                                 x3="0.422935"
                                 y3="-2.44463"
                                 z3="2.905819"/>
                           <atom elementType="O"
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                                 y3="-3.923162"
                                 z3="-0.292191"/>
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                                 z3="-2.555344"/>
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                                 z3="2.824913"/>
                           <atom elementType="Ta"
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                                 x3="2.35883"
                                 y3="-2.645874"
                                 z3="0.084139"/>
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                                 x3="2.411366"
                                 y3="2.749591"
                                 z3="0.044489"/>
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                                 x3="-2.425585"
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                                 z3="0.373148"/>
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                                 x3="3.542574"
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                                 z3="0.174317"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.600279"
                                 y3="4.065918"
                                 z3="-0.123959"/>
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                                 x3="-2.56085"
                                 y3="-0.028124"
                                 z3="2.403205"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.833488"
                                 y3="-0.03113"
                                 z3="2.521197"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.820213"
                                 y3="0.349226"
                                 z3="-2.44917"/>
                           <atom elementType="O"
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                                 x3="0.862413"
                                 y3="-1.053483"
                                 z3="0.984172"/>
                           <atom elementType="O"
                                 id="a14"
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                                 y3="-0.975636"
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                           <atom elementType="O"
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                                 y3="0.939653"
                                 z3="-0.955544"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.953901"
                                 y3="1.011331"
                                 z3="0.971356"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.164318"
                                 y3="-1.087224"
                                 z3="0.825691"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.630964"
                                 y3="-1.225402"
                                 z3="-1.532957"/>
                           <atom elementType="O"
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                                 y3="0.222488"
                                 z3="3.621457"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.161336"
                                 y3="1.372047"
                                 z3="1.183049"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.183047"
                                 y3="3.617037"
                                 z3="4.139605"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.336671"
                                 y3="1.157423"
                                 z3="3.188433"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.092567"
                                 y3="0.808956"
                                 z3="-3.016391"/>
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                                 id="a24"
                                 x3="-1.240079"
                                 y3="-1.409953"
                                 z3="2.867027"/>
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                                 id="a25"
                                 x3="-1.36498"
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                                 z3="-1.208691"/>
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                                 id="a26"
                                 x3="-0.394346"
                                 y3="3.370865"
                                 z3="-3.877775"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.062153"
                                 y3="3.187092"
                                 z3="1.301954"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.833887"
                                 y3="-3.222889"
                                 z3="-1.093785"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.41883"
                                 y3="-1.464047"
                                 z3="1.281335"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="4.001577"
                                 y3="-0.02852"
                                 z3="-3.678223"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.587421"
                                 y3="1.657264"
                                 z3="-1.474634"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.452976"
                                 y3="1.608941"
                                 z3="1.200393"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.832263"
                                 y3="-1.454032"
                                 z3="3.645379"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.500106"
                                 y3="1.254019"
                                 z3="-3.447086"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.623381"
                                 y3="1.41287"
                                 z3="3.417807"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.082594"
                                 y3="-0.0817"
                                 z3="-0.044599"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.940162"
                                 y3="-0.358049"
                                 z3="3.492504"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.523037"
                                 y3="3.664094"
                                 z3="1.706854"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.404594"
                                 y3="-3.513578"
                                 z3="1.605405"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.297555"
                                 y3="3.33251"
                                 z3="-1.636573"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.048776"
                                 y3="-3.676984"
                                 z3="4.151957"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.154232"
                                 y3="0.043905"
                                 z3="-2.348484"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-2.578506"
                                 y3="-1.08111"
                                 z3="0.03451"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.091621"
                                 y3="-2.580958"
                                 z3="-1.207539"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" 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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                  <module cmlx:templateRef="convergence">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">86</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98636128</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00882150</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cgradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
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                     <list cmlx:templateRef="cstepmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                  <module cmlx:templateRef="coordinates">
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                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
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                  <module cmlx:templateRef="convergence">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">87</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98667280</scalar>
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                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00930695</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cgradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="gradrms">
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                     <list cmlx:templateRef="cstepmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                  </module>
                  <module cmlx:templateRef="coordinates">
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                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                     </list>
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                           <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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.4172,-2.444,2.9551;3.4748,-3.8651,-.4866;.0085,2.3013,-2.5452;-.0301,2.4211,2.8172;2.3079,-2.6417,.0817;2.424,2.7418,.0433;-2.4302,2.8578,.3676;3.5476,4.1186,.1907;-3.5949,4.0573,-.1286;-2.5781,-.0387,2.427;2.8225,-.0493,2.5151;2.8407,.3512,-2.4436;.8759,-1.0251,1.0212;-1.0084,-1.0487,-1.072;.9893,.9375,-.9525;-.9827,.9918,.9611;-3.153,-1.1193,.8503;2.6882,-1.2268,-1.5209;4.2108,.2166,3.6004;3.1531,1.3543,1.1724;.1845,3.616,4.1237;1.3396,1.1544,3.1912;-1.0842,.7693,-3.0159;-1.264,-1.4205,2.9117;-1.3635,2.7221,-1.2104;-.4061,3.3353,-3.8827;1.0646,3.1711,1.2948;.8028,-3.0843,-1.1463;3.4141,-1.5066,1.2876;4.0177,-.0234,-3.6791;3.6037,1.6708,-1.4803;-3.4562,1.6044,1.1953;1.8383,-1.4455,3.6746;1.5109,1.2441,-3.4369;-1.6292,1.4116,3.4137;-.0727,-.0788,-.0323;-3.9733,-.3157,3.503;-1.5176,3.6463,1.6932;1.3623,-3.4889,1.6442;1.2959,3.3216,-1.6367;.0471,-3.6621,4.2154;-1.1082,-.0125,-2.3825;-2.5696,-1.1229,.0474;.1136,-2.3777,-1.2206;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">89</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">89</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98528422</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01676558</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">0.00432472</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">0.01676558</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00432472</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04269404</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">0.00653020</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="Ta"
                                 id="a1"
                                 x3="0.417631"
                                 y3="-2.445348"
                                 z3="2.948363"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.486457"
                                 y3="-3.878716"
                                 z3="-0.455495"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.009426"
                                 y3="2.30476"
                                 z3="-2.54677"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.029887"
                                 y3="2.42228"
                                 z3="2.81813"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.316287"
                                 y3="-2.643422"
                                 z3="0.081048"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.422727"
                                 y3="2.744318"
                                 z3="0.043966"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.430519"
                                 y3="2.860007"
                                 z3="0.367873"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.546877"
                                 y3="4.120945"
                                 z3="0.189632"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.598628"
                                 y3="4.057496"
                                 z3="-0.127263"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.575194"
                                 y3="-0.037658"
                                 z3="2.424516"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.823904"
                                 y3="-0.047275"
                                 z3="2.514502"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.840126"
                                 y3="0.352494"
                                 z3="-2.44432"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.874495"
                                 y3="-1.028064"
                                 z3="1.015463"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.023369"
                                 y3="-1.03435"
                                 z3="-1.071783"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.98884"
                                 y3="0.938821"
                                 z3="-0.9530"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.980283"
                                 y3="0.99601"
                                 z3="0.96108"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.155657"
                                 y3="-1.11503"
                                 z3="0.848293"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.686878"
                                 y3="-1.225122"
                                 z3="-1.521544"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.211468"
                                 y3="0.217103"
                                 z3="3.601784"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.154632"
                                 y3="1.357595"
                                 z3="1.173515"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.185031"
                                 y3="3.616659"
                                 z3="4.126188"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.339514"
                                 y3="1.15511"
                                 z3="3.188869"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.0852"
                                 y3="0.77629"
                                 z3="-3.017283"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.25992"
                                 y3="-1.418932"
                                 z3="2.903974"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.363492"
                                 y3="2.726361"
                                 z3="-1.210774"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.402879"
                                 y3="3.341749"
                                 z3="-3.881932"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.063512"
                                 y3="3.173881"
                                 z3="1.295011"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.811725"
                                 y3="-3.108497"
                                 z3="-1.142448"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.414042"
                                 y3="-1.501673"
                                 z3="1.288509"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="4.016208"
                                 y3="-0.0213"
                                 z3="-3.680626"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.60253"
                                 y3="1.671192"
                                 z3="-1.47994"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.45639"
                                 y3="1.603941"
                                 z3="1.195483"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.835841"
                                 y3="-1.446705"
                                 z3="3.670455"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.509724"
                                 y3="1.245266"
                                 z3="-3.43758"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.626575"
                                 y3="1.412569"
                                 z3="3.411884"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.074104"
                                 y3="-0.077459"
                                 z3="-0.034109"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.966769"
                                 y3="-0.320741"
                                 z3="3.503903"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.519983"
                                 y3="3.650105"
                                 z3="1.694811"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.36721"
                                 y3="-3.493148"
                                 z3="1.636775"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.297165"
                                 y3="3.323569"
                                 z3="-1.637027"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.047194"
                                 y3="-3.666525"
                                 z3="4.205233"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.11764"
                                 y3="-0.002297"
                                 z3="-2.377522"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-2.572701"
                                 y3="-1.117211"
                                 z3="0.046386"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.10325"
                                 y3="-2.420346"
                                 z3="-1.21063"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" 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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.4176,-2.4453,2.9484;3.4865,-3.8787,-.4555;.0094,2.3048,-2.5468;-.0299,2.4223,2.8181;2.3163,-2.6434,.081;2.4227,2.7443,.044;-2.4305,2.86,.3679;3.5469,4.1209,.1896;-3.5986,4.0575,-.1273;-2.5752,-.0377,2.4245;2.8239,-.0473,2.5145;2.8401,.3525,-2.4443;.8745,-1.0281,1.0155;-1.0234,-1.0344,-1.0718;.9888,.9388,-.953;-.9803,.996,.9611;-3.1557,-1.115,.8483;2.6869,-1.2251,-1.5215;4.2115,.2171,3.6018;3.1546,1.3576,1.1735;.185,3.6167,4.1262;1.3395,1.1551,3.1889;-1.0852,.7763,-3.0173;-1.2599,-1.4189,2.904;-1.3635,2.7264,-1.2108;-.4029,3.3417,-3.8819;1.0635,3.1739,1.295;.8117,-3.1085,-1.1424;3.414,-1.5017,1.2885;4.0162,-.0213,-3.6806;3.6025,1.6712,-1.4799;-3.4564,1.6039,1.1955;1.8358,-1.4467,3.6705;1.5097,1.2453,-3.4376;-1.6266,1.4126,3.4119;-.0741,-.0775,-.0341;-3.9668,-.3207,3.5039;-1.52,3.6501,1.6948;1.3672,-3.4931,1.6368;1.2972,3.3236,-1.637;.0472,-3.6665,4.2052;-1.1176,-.0023,-2.3775;-2.5727,-1.1172,.0464;.1032,-2.4203,-1.2106;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">90</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">90</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98642885</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01378438</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">0.00339044</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">0.01378438</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00339044</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07701104</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">0.01200335</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="Ta"
                                 id="a1"
                                 x3="0.418827"
                                 y3="-2.448925"
                                 z3="2.936817"/>
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                                 y3="-3.921028"
                                 z3="-0.378484"/>
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                                 y3="2.311317"
                                 z3="-2.551638"/>
                           <atom elementType="Ta"
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                                 x3="-0.030161"
                                 y3="2.425358"
                                 z3="2.818427"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.329548"
                                 y3="-2.646869"
                                 z3="0.079548"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.41929"
                                 y3="2.749436"
                                 z3="0.042479"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.430786"
                                 y3="2.862765"
                                 z3="0.368724"/>
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                                 x3="3.545418"
                                 y3="4.124943"
                                 z3="0.185564"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.604929"
                                 y3="4.058404"
                                 z3="-0.122644"/>
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                                 id="a10"
                                 x3="-2.564849"
                                 y3="-0.038485"
                                 z3="2.415605"/>
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                                 id="a11"
                                 x3="2.827096"
                                 y3="-0.044528"
                                 z3="2.510696"/>
                           <atom elementType="W"
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                                 x3="2.837962"
                                 y3="0.355974"
                                 z3="-2.44555"/>
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                                 x3="0.874143"
                                 y3="-1.0328"
                                 z3="1.0046"/>
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                                 y3="-1.010552"
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                           <atom elementType="O"
                                 id="a15"
                                 x3="0.987056"
                                 y3="0.942611"
                                 z3="-0.953844"/>
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                                 x3="-0.976448"
                                 y3="1.002166"
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                                 y3="-1.107569"
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                                 id="a18"
                                 x3="2.684304"
                                 y3="-1.21725"
                                 z3="-1.518801"/>
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                                 id="a19"
                                 x3="4.213738"
                                 y3="0.216822"
                                 z3="3.601825"/>
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                                 id="a20"
                                 x3="3.157478"
                                 y3="1.3619"
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                                 x3="0.184415"
                                 y3="3.617599"
                                 z3="4.13104"/>
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                                 x3="1.340745"
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                                 x3="-1.248862"
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                                 x3="-1.364442"
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                                 x3="-0.400677"
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                                 x3="1.060851"
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                                 x3="0.815858"
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                                 x3="1.830925"
                                 y3="-1.448319"
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                                 x3="1.506842"
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                                 x3="-1.523783"
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                                 x3="1.376002"
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                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" 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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.4188,-2.4489,2.9368;3.4932,-3.921,-.3785;.0102,2.3113,-2.5516;-.0302,2.4254,2.8184;2.3295,-2.6469,.0795;2.4193,2.7494,.0425;-2.4308,2.8628,.3687;3.5454,4.1249,.1856;-3.6049,4.0584,-.1226;-2.5648,-.0385,2.4156;2.8271,-.0445,2.5107;2.838,.356,-2.4455;.8741,-1.0328,1.0046;-1.0497,-1.0106,-1.0705;.9871,.9426,-.9538;-.9764,1.0022,.9597;-3.1529,-1.1076,.8377;2.6843,-1.2172,-1.5188;4.2137,.2168,3.6018;3.1575,1.3619,1.1714;.1844,3.6176,4.131;1.3407,1.1573,3.1807;-1.0884,.79,-3.0152;-1.2489,-1.4171,2.8878;-1.3644,2.7346,-1.2114;-.4007,3.3537,-3.8813;1.0609,3.1791,1.2945;.8159,-3.1424,-1.1273;3.414,-1.4963,1.2912;4.0158,-.0159,-3.68;3.5984,1.6751,-1.481;-3.4577,1.6002,1.1946;1.8309,-1.4483,3.6613;1.5068,1.2492,-3.4404;-1.6193,1.4098,3.4102;-.0766,-.0769,-.0386;-3.9558,-.335,3.4941;-1.5238,3.6543,1.7;1.376,-3.507,1.6212;1.2971,3.3293,-1.6397;.0501,-3.6722,4.1912;-1.1354,.0186,-2.3614;-2.5622,-1.1077,.0459;.0872,-2.475,-1.1936;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">91</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">91</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98770424</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00627811</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">0.00154595</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">0.00627811</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00154595</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07165416</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">0.01246403</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="Ta"
                                 id="a1"
                                 x3="0.418583"
                                 y3="-2.454588"
                                 z3="2.938079"/>
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                                 id="a2"
                                 x3="3.49747"
                                 y3="-3.913563"
                                 z3="-0.386965"/>
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                                 id="a3"
                                 x3="0.021553"
                                 y3="2.304284"
                                 z3="-2.558527"/>
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                                 id="a4"
                                 x3="-0.03612"
                                 y3="2.427086"
                                 z3="2.82599"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.328771"
                                 y3="-2.647287"
                                 z3="0.07857"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.413995"
                                 y3="2.751064"
                                 z3="0.047795"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.429408"
                                 y3="2.868575"
                                 z3="0.366735"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.539491"
                                 y3="4.130878"
                                 z3="0.183394"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.609121"
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                                 z3="-0.131306"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.555517"
                                 y3="-0.036688"
                                 z3="2.409612"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.831012"
                                 y3="-0.045542"
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                           <atom elementType="W"
                                 id="a12"
                                 x3="2.850888"
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                                 z3="-2.44717"/>
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                                 x3="0.873981"
                                 y3="-1.028392"
                                 z3="1.001305"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.061266"
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                           <atom elementType="O"
                                 id="a15"
                                 x3="0.995961"
                                 y3="0.944725"
                                 z3="-0.948995"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.97159"
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                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.164806"
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                                 id="a18"
                                 x3="2.702453"
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                                 y3="0.215371"
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                                 x3="3.163219"
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                                 z3="1.173361"/>
                           <atom elementType="O"
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                                 x3="0.176433"
                                 y3="3.614392"
                                 z3="4.145787"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.341934"
                                 y3="1.159552"
                                 z3="3.174088"/>
                           <atom elementType="O"
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                                 x3="-1.091435"
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                                 x3="-1.241187"
                                 y3="-1.411182"
                                 z3="2.891906"/>
                           <atom elementType="O"
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                                 x3="-1.358745"
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                                 id="a26"
                                 x3="-0.389916"
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                                 x3="1.053523"
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                                 x3="0.830207"
                                 y3="-3.132916"
                                 z3="-1.149152"/>
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                                 x3="3.414027"
                                 y3="-1.497305"
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                                 x3="4.032499"
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                                 z3="-1.484177"/>
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                                 id="a33"
                                 x3="1.827843"
                                 y3="-1.451263"
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                                 id="a34"
                                 x3="1.508271"
                                 y3="1.234882"
                                 z3="-3.444472"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.61639"
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                                 z3="3.396373"/>
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                                 z3="-0.035048"/>
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                                 id="a37"
                                 x3="-3.932006"
                                 y3="-0.353263"
                                 z3="3.492532"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.535191"
                                 y3="3.664067"
                                 z3="1.707463"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.363314"
                                 y3="-3.506466"
                                 z3="1.607299"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.303472"
                                 y3="3.325781"
                                 z3="-1.64446"/>
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                                 id="a41"
                                 x3="0.054779"
                                 y3="-3.68253"
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                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.177233"
                                 y3="0.0389"
                                 z3="-2.351229"/>
                           <atom elementType="H"
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                                 x3="-2.561171"
                                 y3="-1.097813"
                                 z3="0.038092"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.041684"
                                 y3="-2.536882"
                                 z3="-1.121911"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" 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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.4186,-2.4546,2.9381;3.4975,-3.9136,-.387;.0216,2.3043,-2.5585;-.0361,2.4271,2.826;2.3288,-2.6473,.0786;2.414,2.7511,.0478;-2.4294,2.8686,.3667;3.5395,4.1309,.1834;-3.6091,4.0542,-.1313;-2.5555,-.0367,2.4096;2.831,-.0455,2.5067;2.8509,.3559,-2.4472;.874,-1.0284,1.0013;-1.0613,-1.0015,-1.0524;.996,.9447,-.949;-.9716,1.0052,.9573;-3.1648,-1.0928,.8286;2.7025,-1.2184,-1.5196;4.2161,.2154,3.5991;3.1632,1.3684,1.1734;.1764,3.6144,4.1458;1.3419,1.1596,3.1741;-1.0914,.7927,-3.0215;-1.2412,-1.4112,2.8919;-1.3587,2.7247,-1.2076;-.3899,3.3542,-3.8825;1.0535,3.1798,1.2924;.8302,-3.1329,-1.1492;3.414,-1.4973,1.2942;4.0325,-.0089,-3.679;3.5959,1.6804,-1.4842;-3.4624,1.6003,1.1903;1.8278,-1.4513,3.6597;1.5083,1.2349,-3.4445;-1.6164,1.4126,3.3964;-.0704,-.072,-.035;-3.932,-.3533,3.4925;-1.5352,3.6641,1.7075;1.3633,-3.5065,1.6073;1.3035,3.3258,-1.6445;.0548,-3.6825,4.1849;-1.1772,.0389,-2.3512;-2.5612,-1.0978,.0381;.0417,-2.5369,-1.1219;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">92</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">92</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98712351</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00963659</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">0.00303508</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">0.00963659</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00303508</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01878136</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">0.00327439</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="Ta"
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                                 x3="0.418253"
                                 y3="-2.45367"
                                 z3="2.938094"/>
                           <atom elementType="O"
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                                 y3="-3.918902"
                                 z3="-0.380466"/>
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                                 z3="-2.556759"/>
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                                 z3="2.824069"/>
                           <atom elementType="Ta"
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                                 x3="2.328938"
                                 y3="-2.647295"
                                 z3="0.078899"/>
                           <atom elementType="Ta"
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                                 y3="2.750687"
                                 z3="0.04596"/>
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                                 x3="-2.430049"
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                                 z3="0.367569"/>
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                                 z3="0.183853"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.608573"
                                 y3="4.055261"
                                 z3="-0.128909"/>
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                                 x3="-2.557651"
                                 y3="-0.037493"
                                 z3="2.411014"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.829784"
                                 y3="-0.045929"
                                 z3="2.506807"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.848221"
                                 y3="0.356429"
                                 z3="-2.446842"/>
                           <atom elementType="O"
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                                 x3="0.875046"
                                 y3="-1.028497"
                                 z3="1.002266"/>
                           <atom elementType="O"
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                                 x3="-1.058684"
                                 y3="-1.003761"
                                 z3="-1.056074"/>
                           <atom elementType="O"
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                                 x3="0.993585"
                                 y3="0.944243"
                                 z3="-0.950401"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.973613"
                                 y3="1.004832"
                                 z3="0.957089"/>
                           <atom elementType="O"
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                                 y3="-1.09622"
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                           <atom elementType="O"
                                 id="a18"
                                 x3="2.700514"
                                 y3="-1.216842"
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                           <atom elementType="O"
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                                 y3="0.215721"
                                 z3="3.599006"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.161355"
                                 y3="1.366407"
                                 z3="1.171868"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.178811"
                                 y3="3.61506"
                                 z3="4.142507"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.341761"
                                 y3="1.159203"
                                 z3="3.174518"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.090952"
                                 y3="0.791807"
                                 z3="-3.019638"/>
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                                 id="a24"
                                 x3="-1.242633"
                                 y3="-1.412811"
                                 z3="2.890047"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.360379"
                                 y3="2.727229"
                                 z3="-1.208489"/>
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                                 id="a26"
                                 x3="-0.392926"
                                 y3="3.353619"
                                 z3="-3.882355"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.054823"
                                 y3="3.179899"
                                 z3="1.29231"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.827124"
                                 y3="-3.134485"
                                 z3="-1.14473"/>
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                                 id="a29"
                                 x3="3.414421"
                                 y3="-1.498289"
                                 z3="1.294684"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="4.02821"
                                 y3="-0.010122"
                                 z3="-3.679913"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.596797"
                                 y3="1.680302"
                                 z3="-1.48428"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.461533"
                                 y3="1.600402"
                                 z3="1.191602"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.827796"
                                 y3="-1.450433"
                                 z3="3.66009"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.507833"
                                 y3="1.238242"
                                 z3="-3.44339"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.616338"
                                 y3="1.411096"
                                 z3="3.399405"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.071955"
                                 y3="-0.072927"
                                 z3="-0.035736"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.937529"
                                 y3="-0.35004"
                                 z3="3.49294"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.532895"
                                 y3="3.661901"
                                 z3="1.706122"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.365398"
                                 y3="-3.507542"
                                 z3="1.60984"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.301701"
                                 y3="3.326823"
                                 z3="-1.643771"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.053481"
                                 y3="-3.68035"
                                 z3="4.186953"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.167377"
                                 y3="0.034023"
                                 z3="-2.352892"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-2.558959"
                                 y3="-1.099866"
                                 z3="0.040912"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.053232"
                                 y3="-2.518309"
                                 z3="-1.140693"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" 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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                  <module cmlx:templateRef="convergence">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">93</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98749842</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00820668</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cgradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="gradmax">
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                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00239039</scalar>
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                     <list cmlx:templateRef="cstepmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
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                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
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                  <module cmlx:templateRef="convergence">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">94</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98791012</scalar>
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                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00500726</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cgradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cstepmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                  </module>
                  <module cmlx:templateRef="coordinates">
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                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                     </list>
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                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.408,-2.4601,2.939;3.4916,-3.9332,-.3562;.0086,2.3033,-2.5539;-.0279,2.4304,2.8231;2.3329,-2.6475,.0799;2.4139,2.7464,.0386;-2.4299,2.8661,.3689;3.5418,4.1197,.1869;-3.603,4.061,-.13;-2.5639,-.0357,2.4206;2.8179,-.0548,2.499;2.8494,.3613,-2.4497;.8891,-1.018,1.0062;-1.0667,-1.0016,-1.0533;.9859,.942,-.9535;-.9856,1.0075,.9592;-3.1535,-1.1028,.8437;2.7269,-1.1979,-1.5002;4.2008,.2101,3.5946;3.1487,1.356,1.1632;.1917,3.6199,4.1374;1.3382,1.1582,3.174;-1.0912,.7806,-3.0089;-1.246,-1.4158,2.8881;-1.3631,2.7319,-1.2114;-.4026,3.3405,-3.888;1.0524,3.1778,1.2901;.8386,-3.1227,-1.1563;3.421,-1.5092,1.3017;4.023,-.0031,-3.6906;3.6009,1.6907,-1.4918;-3.459,1.609,1.1936;1.8159,-1.4546,3.6594;1.5034,1.2381,-3.441;-1.6179,1.4143,3.4098;-.0789,-.0708,-.0324;-3.9519,-.3334,3.5042;-1.5262,3.6579,1.7025;1.3573,-3.5111,1.6006;1.2939,3.328,-1.6483;.043,-3.6849,4.1928;-1.1443,.0176,-2.3452;-2.5395,-1.1136,.0686;.0897,-2.4792,-1.2099;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">96</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">96</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98826993</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00480784</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">0.00104293</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">0.00480784</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00104293</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01717301</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">0.00404419</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="Ta"
                                 id="a1"
                                 x3="0.405278"
                                 y3="-2.462624"
                                 z3="2.944142"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.489506"
                                 y3="-3.934955"
                                 z3="-0.352388"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.006181"
                                 y3="2.302775"
                                 z3="-2.554409"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.028264"
                                 y3="2.431283"
                                 z3="2.82434"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.331166"
                                 y3="-2.649134"
                                 z3="0.085254"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.412036"
                                 y3="2.743544"
                                 z3="0.03536"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.43083"
                                 y3="2.868805"
                                 z3="0.370153"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.543015"
                                 y3="4.115043"
                                 z3="0.18538"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.600198"
                                 y3="4.067147"
                                 z3="-0.12696"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.562902"
                                 y3="-0.036135"
                                 z3="2.417792"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.814807"
                                 y3="-0.057536"
                                 z3="2.496159"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.849381"
                                 y3="0.360902"
                                 z3="-2.45207"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.89603"
                                 y3="-1.012315"
                                 z3="1.009215"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.062573"
                                 y3="-1.003313"
                                 z3="-1.047248"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.983761"
                                 y3="0.94303"
                                 z3="-0.953131"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.987984"
                                 y3="1.007133"
                                 z3="0.959702"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.145822"
                                 y3="-1.102374"
                                 z3="0.837275"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.730252"
                                 y3="-1.19301"
                                 z3="-1.491691"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.197054"
                                 y3="0.211995"
                                 z3="3.591353"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.143154"
                                 y3="1.351514"
                                 z3="1.158549"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.192579"
                                 y3="3.619322"
                                 z3="4.140702"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.336715"
                                 y3="1.156668"
                                 z3="3.173321"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.097367"
                                 y3="0.782543"
                                 z3="-3.006074"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.246688"
                                 y3="-1.418218"
                                 z3="2.892787"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.364614"
                                 y3="2.735787"
                                 z3="-1.210185"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.404863"
                                 y3="3.335949"
                                 z3="-3.891812"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.052578"
                                 y3="3.176969"
                                 z3="1.289485"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.837182"
                                 y3="-3.1209"
                                 z3="-1.154198"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.423881"
                                 y3="-1.513992"
                                 z3="1.304036"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="4.022734"
                                 y3="-0.004824"
                                 z3="-3.692236"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.59874"
                                 y3="1.692529"
                                 z3="-1.496916"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.462071"
                                 y3="1.611589"
                                 z3="1.19642"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.814946"
                                 y3="-1.456378"
                                 z3="3.660267"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.501695"
                                 y3="1.237213"
                                 z3="-3.441106"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.614364"
                                 y3="1.411073"
                                 z3="3.408457"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.076663"
                                 y3="-0.069257"
                                 z3="-0.027495"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.953323"
                                 y3="-0.334872"
                                 z3="3.493334"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.525994"
                                 y3="3.657383"
                                 z3="1.705419"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.353548"
                                 y3="-3.511467"
                                 z3="1.603064"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.291274"
                                 y3="3.329075"
                                 z3="-1.649757"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.043742"
                                 y3="-3.684998"
                                 z3="4.19961"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.150127"
                                 y3="0.017347"
                                 z3="-2.345997"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-2.522682"
                                 y3="-1.115349"
                                 z3="0.064759"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.099598"
                                 y3="-2.466264"
                                 z3="-1.227063"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" 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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.4053,-2.4626,2.9441;3.4895,-3.935,-.3524;.0062,2.3028,-2.5544;-.0283,2.4313,2.8243;2.3312,-2.6491,.0853;2.412,2.7435,.0354;-2.4308,2.8688,.3702;3.543,4.115,.1854;-3.6002,4.0671,-.127;-2.5629,-.0361,2.4178;2.8148,-.0575,2.4962;2.8494,.3609,-2.4521;.896,-1.0123,1.0092;-1.0626,-1.0033,-1.0472;.9838,.943,-.9531;-.988,1.0071,.9597;-3.1458,-1.1024,.8373;2.7303,-1.193,-1.4917;4.1971,.212,3.5914;3.1432,1.3515,1.1585;.1926,3.6193,4.1407;1.3367,1.1567,3.1733;-1.0974,.7825,-3.0061;-1.2467,-1.4182,2.8928;-1.3646,2.7358,-1.2102;-.4049,3.3359,-3.8918;1.0526,3.177,1.2895;.8372,-3.1209,-1.1542;3.4239,-1.514,1.304;4.0227,-.0048,-3.6922;3.5987,1.6925,-1.4969;-3.4621,1.6116,1.1964;1.8149,-1.4564,3.6603;1.5017,1.2372,-3.4411;-1.6144,1.4111,3.4085;-.0767,-.0693,-.0275;-3.9533,-.3349,3.4933;-1.526,3.6574,1.7054;1.3535,-3.5115,1.6031;1.2913,3.3291,-1.6498;.0437,-3.685,4.1996;-1.1501,.0173,-2.346;-2.5227,-1.1153,.0648;.0996,-2.4663,-1.2271;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">97</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">97</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98837396</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00449248</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">0.00102260</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">0.00449248</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00102260</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00952658</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">0.00284775</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="Ta"
                                 id="a1"
                                 x3="0.403643"
                                 y3="-2.463105"
                                 z3="2.946149"/>
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                                 x3="3.485238"
                                 y3="-3.938303"
                                 z3="-0.350569"/>
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                                 x3="0.005823"
                                 y3="2.302154"
                                 z3="-2.553865"/>
                           <atom elementType="Ta"
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                                 x3="-0.026986"
                                 y3="2.431324"
                                 z3="2.82408"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.330006"
                                 y3="-2.649064"
                                 z3="0.084701"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.412853"
                                 y3="2.743725"
                                 z3="0.034572"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.430524"
                                 y3="2.866767"
                                 z3="0.369905"/>
                           <atom elementType="O"
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                                 x3="3.544091"
                                 y3="4.114355"
                                 z3="0.188823"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.600302"
                                 y3="4.063623"
                                 z3="-0.130202"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.564821"
                                 y3="-0.036797"
                                 z3="2.420894"/>
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                                 id="a11"
                                 x3="2.813597"
                                 y3="-0.059743"
                                 z3="2.493451"/>
                           <atom elementType="W"
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                                 x3="2.851551"
                                 y3="0.362272"
                                 z3="-2.451869"/>
                           <atom elementType="O"
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                                 x3="0.90116"
                                 y3="-1.004582"
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                                 x3="-1.059755"
                                 y3="-1.006303"
                                 z3="-1.044395"/>
                           <atom elementType="O"
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                                 x3="0.983115"
                                 y3="0.941998"
                                 z3="-0.954954"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.991247"
                                 y3="1.008655"
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                                 y3="-1.101033"
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                                 x3="2.739709"
                                 y3="-1.188447"
                                 z3="-1.485975"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.195554"
                                 y3="0.210381"
                                 z3="3.589054"/>
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                                 id="a20"
                                 x3="3.141701"
                                 y3="1.349618"
                                 z3="1.156108"/>
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                                 x3="0.193691"
                                 y3="3.619672"
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                                 x3="1.336977"
                                 y3="1.156812"
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                                 x3="-1.36409"
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                                 x3="-0.404596"
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                                 x3="1.050289"
                                 y3="3.176239"
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                                 x3="0.839282"
                                 y3="-3.112827"
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                                 x3="1.812629"
                                 y3="-1.455758"
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                                 z3="3.500573"/>
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                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" 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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.4036,-2.4631,2.9461;3.4852,-3.9383,-.3506;.0058,2.3022,-2.5539;-.027,2.4313,2.8241;2.33,-2.6491,.0847;2.4129,2.7437,.0346;-2.4305,2.8668,.3699;3.5441,4.1144,.1888;-3.6003,4.0636,-.1302;-2.5648,-.0368,2.4209;2.8136,-.0597,2.4935;2.8516,.3623,-2.4519;.9012,-1.0046,1.0127;-1.0598,-1.0063,-1.0444;.9831,.942,-.955;-.9912,1.0087,.9572;-3.1497,-1.101,.8394;2.7397,-1.1884,-1.486;4.1956,.2104,3.5891;3.1417,1.3496,1.1561;.1937,3.6197,4.1401;1.337,1.1568,3.1734;-1.0978,.7814,-3.005;-1.2488,-1.4215,2.89;-1.3641,2.737,-1.2108;-.4046,3.3341,-3.8925;1.0503,3.1762,1.2863;.8393,-3.1128,-1.1597;3.4248,-1.5189,1.3068;4.0215,-.0043,-3.6951;3.5999,1.6972,-1.5001;-3.4624,1.6115,1.1983;1.8126,-1.4558,3.6616;1.501,1.2351,-3.4403;-1.6121,1.4103,3.4076;-.076,-.0683,-.026;-3.9525,-.3338,3.5006;-1.5275,3.6573,1.7047;1.3451,-3.5099,1.5992;1.2925,3.3288,-1.6511;.044,-3.6864,4.2014;-1.147,.015,-2.347;-2.5226,-1.1207,.0707;.1025,-2.4567,-1.2328;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">98</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">98</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98841881</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00427541</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">0.00102061</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">0.00427541</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00102061</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00785270</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">0.00238064</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="Ta"
                                 id="a1"
                                 x3="0.403196"
                                 y3="-2.463806"
                                 z3="2.94887"/>
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                                 id="a2"
                                 x3="3.481564"
                                 y3="-3.938909"
                                 z3="-0.355467"/>
                           <atom elementType="W"
                                 id="a3"
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                                 z3="-2.554531"/>
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                                 id="a4"
                                 x3="-0.026761"
                                 y3="2.430936"
                                 z3="2.823863"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.328818"
                                 y3="-2.649483"
                                 z3="0.085423"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.412367"
                                 y3="2.743622"
                                 z3="0.034033"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.430508"
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                                 z3="0.369767"/>
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                                 id="a8"
                                 x3="3.544151"
                                 y3="4.113576"
                                 z3="0.190788"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.599613"
                                 y3="4.064876"
                                 z3="-0.12974"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.56473"
                                 y3="-0.037265"
                                 z3="2.418806"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.812738"
                                 y3="-0.061177"
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                           <atom elementType="W"
                                 id="a12"
                                 x3="2.85241"
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                                 z3="-2.452204"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.907829"
                                 y3="-0.997785"
                                 z3="1.015646"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.053576"
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                           <atom elementType="O"
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                                 x3="0.9825"
                                 y3="0.943892"
                                 z3="-0.955276"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.99263"
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                           <atom elementType="O"
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                                 x3="-3.150665"
                                 y3="-1.100662"
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                           <atom elementType="O"
                                 id="a18"
                                 x3="2.743545"
                                 y3="-1.184199"
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                                 id="a20"
                                 x3="3.140551"
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                                 z3="4.139472"/>
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                                 id="a22"
                                 x3="1.33676"
                                 y3="1.156215"
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                                 x3="-1.100368"
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                                 z3="-3.001817"/>
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                                 id="a24"
                                 x3="-1.249083"
                                 y3="-1.423116"
                                 z3="2.886803"/>
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                                 x3="-1.363669"
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                                 z3="-1.210862"/>
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                                 id="a26"
                                 x3="-0.40362"
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                                 z3="-3.894341"/>
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                                 id="a29"
                                 x3="3.426592"
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                                 id="a31"
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                                 z3="-1.503432"/>
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                                 x3="-3.462816"
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                                 id="a33"
                                 x3="1.812879"
                                 y3="-1.456166"
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                                 id="a34"
                                 x3="1.49933"
                                 y3="1.232493"
                                 z3="-3.440072"/>
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                                 id="a35"
                                 x3="-1.611689"
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                                 z3="-0.025221"/>
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                                 id="a37"
                                 x3="-3.953201"
                                 y3="-0.336106"
                                 z3="3.497944"/>
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                                 id="a38"
                                 x3="-1.527845"
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                                 y3="3.329426"
                                 z3="-1.652499"/>
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                                 x3="0.045564"
                                 y3="-3.687064"
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                                 x3="-1.145887"
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                                 x3="-2.521239"
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                           <atom elementType="H"
                                 id="a44"
                                 x3="0.097482"
                                 y3="-2.451681"
                                 z3="-1.225643"/>
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                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" 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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/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:.4032,-2.4638,2.9489;3.4816,-3.9389,-.3555;.0062,2.3021,-2.5545;-.0268,2.4309,2.8239;2.3288,-2.6495,.0854;2.4124,2.7436,.034;-2.4305,2.867,.3698;3.5442,4.1136,.1908;-3.5996,4.0649,-.1297;-2.5647,-.0373,2.4188;2.8127,-.0612,2.4913;2.8524,.3627,-2.4522;.9078,-.9978,1.0156;-1.0536,-1.0101,-1.0429;.9825,.9439,-.9553;-.9926,1.008,.9557;-3.1507,-1.1007,.8374;2.7435,-1.1842,-1.4808;4.1947,.2106,3.5867;3.1406,1.3472,1.1532;.1943,3.6194,4.1395;1.3368,1.1562,3.1734;-1.1004,.782,-3.0018;-1.2491,-1.4231,2.8868;-1.3637,2.7396,-1.2109;-.4036,3.3326,-3.8943;1.0495,3.1753,1.2847;.8382,-3.105,-1.16;3.4266,-1.5237,1.3082;4.0228,-.0054,-3.6947;3.5989,1.7008,-1.5034;-3.4628,1.612,1.1977;1.8129,-1.4562,3.6626;1.4993,1.2325,-3.4401;-1.6117,1.4087,3.407;-.0732,-.0677,-.0252;-3.9532,-.3361,3.4979;-1.5278,3.6566,1.7053;1.339,-3.5083,1.5982;1.2927,3.3294,-1.6525;.0456,-3.6871,4.2053;-1.1459,.0145,-2.3452;-2.5212,-1.128,.0721;.0975,-2.4517,-1.2256;/R:/0/N:36,13,14,15,16;41,28,2,17,37,19,21,8,9,30,23,26,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4,5);/CRV:1.4,2.1,3.1,4.1,5.1;1.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,28.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">99</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">99</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98848886</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00346066</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">0.00085685</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">0.00346066</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00085685</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00999322</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">0.00302835</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 y3="-2.46476"
                                 z3="2.950731"/>
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                                 z3="-0.12774"/>
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                                 y3="-0.03677"
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                                 x3="2.812295"
                                 y3="-0.06214"
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                                 x3="2.851633"
                                 y3="0.361913"
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                                 y3="-0.989765"
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                                 y3="0.948467"
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                                 y3="-1.098224"
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                                 z3="4.139519"/>
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                                 y3="1.154926"
                                 z3="3.174342"/>
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                                 x3="-0.402871"
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                                 x3="1.048992"
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                                 z3="1.28424"/>
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                                 x3="0.839865"
                                 y3="-3.099486"
                                 z3="-1.160021"/>
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                                 x3="3.430426"
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                                 y3="-0.010447"
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                                 id="a31"
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                                 y3="1.70415"
                                 z3="-1.508404"/>
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                                 id="a32"
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                                 y3="1.614333"
                                 z3="1.196157"/>
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                                 id="a33"
                                 x3="1.814797"
                                 y3="-1.458079"
                                 z3="3.662102"/>
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                                 id="a34"
                                 x3="1.494747"
                                 y3="1.22708"
                                 z3="-3.439893"/>
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                                 id="a35"
                                 x3="-1.612376"
                                 y3="1.407201"
                                 z3="3.406483"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.068864"
                                 y3="-0.067539"
                                 z3="-0.024381"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.955323"
                                 y3="-0.33862"
                                 z3="3.491038"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.527126"
                                 y3="3.657028"
                                 z3="1.70726"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.333372"
                                 y3="-3.506594"
                                 z3="1.597327"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.292301"
                                 y3="3.330458"
                                 z3="-1.654001"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.047395"
                                 y3="-3.688238"
                                 z3="4.208262"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.146672"
                                 y3="0.014677"
                                 z3="-2.339828"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-2.520337"
                                 y3="-1.130707"
                                 z3="0.069468"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.093049"
                                 y3="-2.451708"
                                 z3="-1.216191"/>
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                        <bondArray>
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                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" 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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+1/p-3/rAsO4.H3O27Ta6W3/c2-1(3,4)5;1-28-13-29(2,3)16-31(6,15-28)18-32(7)17-30(4,5,14-28)22-34(9,23-32)26-36(11,12)25-33(8,19-31,20-32)24-35(10,21-29)27-36/h;2,4,11H">
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                  <module cmlx:templateRef="convergence">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">100</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98856176</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
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                  <module cmlx:templateRef="coordinates">
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                        <formula concise="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
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                     <list cmlx:templateRef="energy">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
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                  <module cmlx:templateRef="coordinates">
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                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
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                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.4015,-2.4642,2.9448;3.4995,-3.9345,-.3543;.0054,2.3027,-2.5528;-.0279,2.4279,2.8257;2.3353,-2.6566,.0905;2.4072,2.744,.0331;-2.4317,2.8738,.3709;3.5405,4.1133,.1863;-3.6021,4.0744,-.1184;-2.5672,-.0323,2.4067;2.8109,-.0616,2.4879;2.8459,.3588,-2.4533;.9305,-.9832,1.0193;-1.0357,-1.0165,-1.0368;.9802,.9614,-.9506;-.9868,1.0051,.9616;-3.1514,-1.093,.8243;2.722,-1.1723,-1.4628;4.1919,.2145,3.5845;3.1409,1.3402,1.1438;.1939,3.618,4.14;1.334,1.1522,3.1752;-1.1092,.7829,-2.9888;-1.2523,-1.4252,2.8651;-1.3652,2.7485,-1.2082;-.4075,3.3295,-3.8947;1.0524,3.174,1.2889;.8486,-3.1155,-1.1589;3.4325,-1.5331,1.3142;4.0164,-.0263,-3.6907;3.5955,1.7031,-1.5163;-3.4616,1.6134,1.1942;1.8152,-1.4619,3.6574;1.488,1.2251,-3.4399;-1.6138,1.4078,3.4093;-.062,-.0654,-.0213;-3.9568,-.3342,3.4855;-1.5266,3.6584,1.7077;1.3338,-3.5109,1.5957;1.2902,3.335,-1.6541;.0407,-3.6864,4.2017;-1.1461,.0155,-2.3314;-2.5209,-1.1241,.0617;.1055,-2.4641,-1.2171;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">103</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">103</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98866443</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00193792</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">0.00043914</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">0.00193792</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00043914</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00309639</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">0.00106595</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="Ta"
                                 id="a1"
                                 x3="0.401654"
                                 y3="-2.463375"
                                 z3="2.943745"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.501058"
                                 y3="-3.93438"
                                 z3="-0.355145"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.004867"
                                 y3="2.303097"
                                 z3="-2.552191"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-0.027791"
                                 y3="2.427472"
                                 z3="2.82501"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.335453"
                                 y3="-2.657964"
                                 z3="0.089147"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.407106"
                                 y3="2.744249"
                                 z3="0.032235"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.432598"
                                 y3="2.874357"
                                 z3="0.370704"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.541157"
                                 y3="4.113063"
                                 z3="0.185149"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.604902"
                                 y3="4.07377"
                                 z3="-0.116711"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.567389"
                                 y3="-0.031463"
                                 z3="2.406763"/>
                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.810534"
                                 y3="-0.061708"
                                 z3="2.487438"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.84541"
                                 y3="0.358682"
                                 z3="-2.45296"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.930775"
                                 y3="-0.983149"
                                 z3="1.020114"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.034358"
                                 y3="-1.015458"
                                 z3="-1.03575"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.980213"
                                 y3="0.963525"
                                 z3="-0.949683"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.985096"
                                 y3="1.006825"
                                 z3="0.962635"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.15257"
                                 y3="-1.092968"
                                 z3="0.824438"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.71998"
                                 y3="-1.171645"
                                 z3="-1.460633"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.191813"
                                 y3="0.214736"
                                 z3="3.583696"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.140381"
                                 y3="1.339647"
                                 z3="1.14205"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.193613"
                                 y3="3.616895"
                                 z3="4.140143"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.334468"
                                 y3="1.15226"
                                 z3="3.174333"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.107423"
                                 y3="0.782619"
                                 z3="-2.988274"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.252527"
                                 y3="-1.425697"
                                 z3="2.862163"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.366345"
                                 y3="2.749024"
                                 z3="-1.20834"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.40864"
                                 y3="3.329991"
                                 z3="-3.893737"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.053377"
                                 y3="3.174684"
                                 z3="1.289841"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.848264"
                                 y3="-3.118593"
                                 z3="-1.159741"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.431085"
                                 y3="-1.534351"
                                 z3="1.31566"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="4.014858"
                                 y3="-0.029072"
                                 z3="-3.69055"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.596675"
                                 y3="1.702341"
                                 z3="-1.516489"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.460359"
                                 y3="1.611653"
                                 z3="1.193439"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.814473"
                                 y3="-1.460831"
                                 z3="3.657978"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.489923"
                                 y3="1.227816"
                                 z3="-3.440016"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.613859"
                                 y3="1.407454"
                                 z3="3.409759"/>
                           <atom elementType="As"
                                 id="a36"
                                 x3="-0.061191"
                                 y3="-0.064405"
                                 z3="-0.019905"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.956996"
                                 y3="-0.333806"
                                 z3="3.48502"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.527041"
                                 y3="3.658579"
                                 z3="1.707165"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.335074"
                                 y3="-3.512154"
                                 z3="1.595728"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.290178"
                                 y3="3.336028"
                                 z3="-1.654449"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.039047"
                                 y3="-3.684185"
                                 z3="4.201269"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.144719"
                                 y3="0.01485"
                                 z3="-2.331204"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-2.520913"
                                 y3="-1.124619"
                                 z3="0.06256"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.106777"
                                 y3="-2.465093"
                                 z3="-1.216806"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" 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="a3 a15" 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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.4017,-2.4634,2.9437;3.5011,-3.9344,-.3551;.0049,2.3031,-2.5522;-.0278,2.4275,2.825;2.3355,-2.658,.0891;2.4071,2.7442,.0322;-2.4326,2.8744,.3707;3.5412,4.1131,.1851;-3.6049,4.0738,-.1167;-2.5674,-.0315,2.4068;2.8105,-.0617,2.4874;2.8454,.3587,-2.453;.9308,-.9831,1.0201;-1.0344,-1.0155,-1.0357;.9802,.9635,-.9497;-.9851,1.0068,.9626;-3.1526,-1.093,.8244;2.72,-1.1716,-1.4606;4.1918,.2147,3.5837;3.1404,1.3396,1.1421;.1936,3.6169,4.1401;1.3345,1.1523,3.1743;-1.1074,.7826,-2.9883;-1.2525,-1.4257,2.8622;-1.3663,2.749,-1.2083;-.4086,3.33,-3.8937;1.0534,3.1747,1.2898;.8483,-3.1186,-1.1597;3.4311,-1.5344,1.3157;4.0149,-.0291,-3.6905;3.5967,1.7023,-1.5165;-3.4604,1.6117,1.1934;1.8145,-1.4608,3.658;1.4899,1.2278,-3.44;-1.6139,1.4075,3.4098;-.0612,-.0644,-.0199;-3.957,-.3338,3.485;-1.527,3.6586,1.7072;1.3351,-3.5122,1.5957;1.2902,3.336,-1.6544;.039,-3.6842,4.2013;-1.1447,.0149,-2.3312;-2.5209,-1.1246,.0626;.1068,-2.4651,-1.2168;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">104</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">104</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98868190</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00164486</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">0.00034956</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">0.00164486</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00034956</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00286908</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">0.00090201</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="Ta"
                                 id="a1"
                                 x3="0.402071"
                                 y3="-2.462734"
                                 z3="2.943488"/>
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                                 y3="-3.934104"
                                 z3="-0.358014"/>
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                                 y3="2.302494"
                                 z3="-2.552044"/>
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                                 z3="2.824613"/>
                           <atom elementType="Ta"
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                                 x3="2.334926"
                                 y3="-2.658459"
                                 z3="0.087611"/>
                           <atom elementType="Ta"
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                                 x3="2.406324"
                                 y3="2.74408"
                                 z3="0.03164"/>
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                                 x3="-2.432939"
                                 y3="2.875301"
                                 z3="0.370799"/>
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                                 x3="3.541342"
                                 y3="4.112164"
                                 z3="0.184505"/>
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                                 x3="-3.606451"
                                 y3="4.073519"
                                 z3="-0.11653"/>
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                                 x3="-2.567538"
                                 y3="-0.031168"
                                 z3="2.406781"/>
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                                 x3="2.810481"
                                 y3="-0.062292"
                                 z3="2.486782"/>
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                                 y3="0.358783"
                                 z3="-2.45239"/>
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                                 x3="0.930746"
                                 y3="-0.983164"
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                                 x3="-1.033814"
                                 y3="-1.015179"
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                                 x3="0.980176"
                                 y3="0.964262"
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                                 x3="-0.98379"
                                 y3="1.008675"
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                                 x3="2.720796"
                                 y3="-1.170717"
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                                 x3="4.192021"
                                 y3="0.214895"
                                 z3="3.582673"/>
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                                 x3="3.139344"
                                 y3="1.339334"
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                                 x3="1.053542"
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                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" 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="a3 a15" 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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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"/>
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                           <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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.4021,-2.4627,2.9435;3.5006,-3.9341,-.358;.0044,2.3025,-2.552;-.0276,2.427,2.8246;2.3349,-2.6585,.0876;2.4063,2.7441,.0316;-2.4329,2.8753,.3708;3.5413,4.1122,.1845;-3.6065,4.0735,-.1165;-2.5675,-.0312,2.4068;2.8105,-.0623,2.4868;2.8458,.3588,-2.4524;.9307,-.9832,1.0212;-1.0338,-1.0152,-1.0343;.9802,.9643,-.9489;-.9838,1.0087,.9631;-3.154,-1.0929,.8241;2.7208,-1.1707,-1.4584;4.192,.2149,3.5827;3.1393,1.3393,1.1407;.1932,3.6154,4.1407;1.3353,1.1526,3.1734;-1.1054,.781,-2.9877;-1.2527,-1.4266,2.8602;-1.3674,2.748,-1.2083;-.4094,3.3296,-3.8932;1.0535,3.1755,1.2902;.8475,-3.1179,-1.1617;3.4304,-1.5358,1.3165;4.0145,-.0306,-3.6902;3.5978,1.7022,-1.5165;-3.4593,1.6109,1.1929;1.8137,-1.4594,3.6594;1.492,1.2293,-3.4401;-1.6139,1.4066,3.4097;-.061,-.0637,-.0186;-3.9572,-.3347,3.4847;-1.5274,3.6591,1.7073;1.3355,-3.5122,1.5954;1.29,3.3363,-1.6553;.0383,-3.6822,4.2021;-1.1434,.0134,-2.3304;-2.5206,-1.1241,.0638;.1063,-2.4637,-1.2163;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
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                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">105</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98869486</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00148218</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">0.00030215</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">0.00148218</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00030215</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00370702</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">0.00079951</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"
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                                 y3="-2.462366"
                                 z3="2.943427"/>
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                                 id="a2"
                                 x3="3.499936"
                                 y3="-3.933368"
                                 z3="-0.361721"/>
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                                 x3="0.004293"
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                                 z3="-2.552247"/>
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                                 x3="-0.027721"
                                 y3="2.426606"
                                 z3="2.82441"/>
                           <atom elementType="Ta"
                                 id="a5"
                                 x3="2.33467"
                                 y3="-2.658226"
                                 z3="0.086387"/>
                           <atom elementType="Ta"
                                 id="a6"
                                 x3="2.405556"
                                 y3="2.743584"
                                 z3="0.031394"/>
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                                 id="a7"
                                 x3="-2.433113"
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                                 z3="0.370758"/>
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                                 z3="0.184126"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.60701"
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                                 z3="-0.116822"/>
                           <atom elementType="Ta"
                                 id="a10"
                                 x3="-2.56761"
                                 y3="-0.031061"
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                           <atom elementType="Ta"
                                 id="a11"
                                 x3="2.810695"
                                 y3="-0.062832"
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                           <atom elementType="W"
                                 id="a12"
                                 x3="2.846622"
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                                 id="a13"
                                 x3="0.930424"
                                 y3="-0.983653"
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                                 id="a14"
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                                 id="a15"
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                                 id="a16"
                                 x3="-0.982876"
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                                 y3="0.214738"
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                                 id="a20"
                                 x3="3.138468"
                                 y3="1.339172"
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                                 y3="3.614446"
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                                 id="a22"
                                 x3="1.335917"
                                 y3="1.152759"
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                                 x3="-1.252515"
                                 y3="-1.426632"
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                                 x3="-1.368068"
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                                 x3="-0.409824"
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                                 y3="-3.115503"
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                                 x3="3.430347"
                                 y3="-1.53654"
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                                 x3="1.813172"
                                 y3="-1.458662"
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                                 id="a34"
                                 x3="1.493157"
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                                 z3="-3.44007"/>
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                                 id="a35"
                                 x3="-1.614318"
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                           <atom elementType="As"
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                                 z3="-0.017644"/>
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                                 id="a37"
                                 x3="-3.956969"
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                                 z3="3.484908"/>
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                        <bondArray>
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                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" 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="a3 a15" 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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.4024,-2.4624,2.9434;3.4999,-3.9334,-.3617;.0043,2.3017,-2.5522;-.0277,2.4266,2.8244;2.3347,-2.6582,.0864;2.4056,2.7436,.0314;-2.4331,2.8763,.3708;3.5413,4.1111,.1841;-3.607,4.0741,-.1168;-2.5676,-.0311,2.4068;2.8107,-.0628,2.4866;2.8466,.3589,-2.4522;.9304,-.9837,1.0218;-1.0337,-1.0148,-1.0334;.9805,.9642,-.9483;-.9829,1.0098,.9636;-3.1558,-1.0931,.8242;2.7231,-1.17,-1.4569;4.1925,.2147,3.5821;3.1385,1.3392,1.1406;.1928,3.6144,4.1408;1.3359,1.1528,3.1729;-1.1041,.7794,-2.9873;-1.2525,-1.4266,2.859;-1.3681,2.7469,-1.2083;-.4098,3.3288,-3.8933;1.0536,3.1761,1.2904;.8467,-3.1155,-1.1627;3.4303,-1.5365,1.3165;4.0154,-.0307,-3.6898;3.5985,1.7024,-1.5165;-3.4585,1.6111,1.1925;1.8132,-1.4587,3.6608;1.4932,1.2295,-3.4401;-1.6143,1.4062,3.4095;-.0608,-.0632,-.0176;-3.957,-.3355,3.4849;-1.5274,3.6594,1.7075;1.3357,-3.5114,1.5951;1.2897,3.336,-1.6559;.038,-3.6812,4.2027;-1.1421,.012,-2.3294;-2.5218,-1.1252,.0645;.1043,-2.4625,-1.2152;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">106</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.98870934</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00129663</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">0.00027630</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">0.00129663</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00027630</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:current">0.00083747</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                     <molecule id="geometry.cycle">
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                                 z3="-1.517372"/>
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                                 z3="1.192794"/>
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                                 id="a33"
                                 x3="1.812682"
                                 y3="-1.458458"
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                                 id="a34"
                                 x3="1.493196"
                                 y3="1.228605"
                                 z3="-3.439919"/>
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                                 id="a35"
                                 x3="-1.614707"
                                 y3="1.405498"
                                 z3="3.409509"/>
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                                 x3="-0.060655"
                                 y3="-0.063031"
                                 z3="-0.016626"/>
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                                 id="a37"
                                 x3="-3.956939"
                                 y3="-0.336057"
                                 z3="3.48474"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.526936"
                                 y3="3.65986"
                                 z3="1.707943"/>
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                                 id="a39"
                                 x3="1.336009"
                                 y3="-3.510386"
                                 z3="1.594541"/>
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                                 id="a40"
                                 x3="1.288819"
                                 y3="3.33553"
                                 z3="-1.656367"/>
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                                 id="a41"
                                 x3="0.038005"
                                 y3="-3.680794"
                                 z3="4.202857"/>
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                                 id="a42"
                                 x3="-1.14158"
                                 y3="0.010686"
                                 z3="-2.327883"/>
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                                 x3="-2.523211"
                                 y3="-1.123843"
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                                 id="a44"
                                 x3="0.103298"
                                 y3="-2.461211"
                                 z3="-1.21489"/>
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                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" 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="a3 a15" 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 a18" order="S"/>
                           <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2208.110399999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
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                           <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">114.153</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi2:kcal.mol-1">115.930</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">178.038</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:total"
                                   units="nonsi2:cal.mol-1.K-1">184.000</scalar>
                        </list>
                     </module>
                  </module>
               </property>
            </propertyList>
            <molecule id="finalization.0">
               <atomArray>
                  <atom elementType="Ta"
                        id="a1"
                        x3="0.402493"
                        y3="-2.462364"
                        z3="2.94311"/>
                  <atom elementType="O"
                        id="a2"
                        x3="3.499857"
                        y3="-3.933056"
                        z3="-0.363898"/>
                  <atom elementType="W"
                        id="a3"
                        x3="0.003936"
                        y3="2.300611"
                        z3="-2.552442"/>
                  <atom elementType="Ta"
                        id="a4"
                        x3="-0.027907"
                        y3="2.425979"
                        z3="2.824444"/>
                  <atom elementType="Ta"
                        id="a5"
                        x3="2.335251"
                        y3="-2.657745"
                        z3="0.085762"/>
                  <atom elementType="Ta"
                        id="a6"
                        x3="2.404384"
                        y3="2.742739"
                        z3="0.031137"/>
                  <atom elementType="W"
                        id="a7"
                        x3="-2.43311"
                        y3="2.877611"
                        z3="0.370953"/>
                  <atom elementType="O"
                        id="a8"
                        x3="3.540897"
                        y3="4.109739"
                        z3="0.183331"/>
                  <atom elementType="O"
                        id="a9"
                        x3="-3.606632"
                        y3="4.075564"
                        z3="-0.11712"/>
                  <atom elementType="Ta"
                        id="a10"
                        x3="-2.567861"
                        y3="-0.031116"
                        z3="2.406379"/>
                  <atom elementType="Ta"
                        id="a11"
                        x3="2.811029"
                        y3="-0.063442"
                        z3="2.486409"/>
                  <atom elementType="W"
                        id="a12"
                        x3="2.847308"
                        y3="0.358926"
                        z3="-2.452221"/>
                  <atom elementType="O"
                        id="a13"
                        x3="0.930778"
                        y3="-0.984044"
                        z3="1.022334"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-1.033839"
                        y3="-1.014696"
                        z3="-1.032039"/>
                  <atom elementType="O"
                        id="a15"
                        x3="0.980749"
                        y3="0.963892"
                        z3="-0.947784"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-0.981931"
                        y3="1.010345"
                        z3="0.964503"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-3.157681"
                        y3="-1.091894"
                        z3="0.822947"/>
                  <atom elementType="O"
                        id="a18"
                        x3="2.726016"
                        y3="-1.168625"
                        z3="-1.454541"/>
                  <atom elementType="O"
                        id="a19"
                        x3="4.192828"
                        y3="0.214668"
                        z3="3.581688"/>
                  <atom elementType="O"
                        id="a20"
                        x3="3.137447"
                        y3="1.338844"
                        z3="1.14068"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.192223"
                        y3="3.613619"
                        z3="4.14105"/>
                  <atom elementType="O"
                        id="a22"
                        x3="1.336381"
                        y3="1.152863"
                        z3="3.172803"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-1.103563"
                        y3="0.777512"
                        z3="-2.986593"/>
                  <atom elementType="O"
                        id="a24"
                        x3="-1.253055"
                        y3="-1.427371"
                        z3="2.857941"/>
                  <atom elementType="O"
                        id="a25"
                        x3="-1.368884"
                        y3="2.745481"
                        z3="-1.208242"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.410845"
                        y3="3.327387"
                        z3="-3.893478"/>
                  <atom elementType="O"
                        id="a27"
                        x3="1.053551"
                        y3="3.176508"
                        z3="1.290653"/>
                  <atom elementType="O"
                        id="a28"
                        x3="0.847188"
                        y3="-3.112683"
                        z3="-1.163539"/>
                  <atom elementType="O"
                        id="a29"
                        x3="3.431387"
                        y3="-1.537053"
                        z3="1.31638"/>
                  <atom elementType="O"
                        id="a30"
                        x3="4.01627"
                        y3="-0.030894"
                        z3="-3.689668"/>
                  <atom elementType="O"
                        id="a31"
                        x3="3.598961"
                        y3="1.702853"
                        z3="-1.517372"/>
                  <atom elementType="O"
                        id="a32"
                        x3="-3.458109"
                        y3="1.612143"
                        z3="1.192794"/>
                  <atom elementType="O"
                        id="a33"
                        x3="1.812682"
                        y3="-1.458458"
                        z3="3.661556"/>
                  <atom elementType="O"
                        id="a34"
                        x3="1.493196"
                        y3="1.228605"
                        z3="-3.439919"/>
                  <atom elementType="O"
                        id="a35"
                        x3="-1.614707"
                        y3="1.405498"
                        z3="3.409509"/>
                  <atom elementType="As"
                        id="a36"
                        x3="-0.060655"
                        y3="-0.063031"
                        z3="-0.016626"/>
                  <atom elementType="O"
                        id="a37"
                        x3="-3.956939"
                        y3="-0.336057"
                        z3="3.48474"/>
                  <atom elementType="O"
                        id="a38"
                        x3="-1.526936"
                        y3="3.65986"
                        z3="1.707943"/>
                  <atom elementType="O"
                        id="a39"
                        x3="1.336009"
                        y3="-3.510386"
                        z3="1.594541"/>
                  <atom elementType="O"
                        id="a40"
                        x3="1.288819"
                        y3="3.33553"
                        z3="-1.656367"/>
                  <atom elementType="O"
                        id="a41"
                        x3="0.038005"
                        y3="-3.680794"
                        z3="4.202857"/>
                  <atom elementType="H"
                        id="a42"
                        x3="-1.14158"
                        y3="0.010686"
                        z3="-2.327883"/>
                  <atom elementType="H"
                        id="a43"
                        x3="-2.523211"
                        y3="-1.123843"
                        z3="0.063778"/>
                  <atom elementType="H"
                        id="a44"
                        x3="0.103298"
                        y3="-2.461211"
                        z3="-1.21489"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a33" order="S"/>
                  <bond atomRefs2="a1 a39" order="S"/>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a1 a41" 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="a3 a15" 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 a18" order="S"/>
                  <bond atomRefs2="a5 a28" 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="H3AsO31Ta6W3"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2208.110399999999</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/AsO4.3H2O.24O.6Ta.3W/c2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;+2/p-3/rAsH3O31Ta6W3/c2-1(3,4)17-41(15,16)30-38(12)24-36(10)20-33(5,18-34(6,7,21-36)26-40(14,29-38)32-41)19-35(8,9)22-37(11,23-36,25-38)28-39(13,27-35)31-41/h6,8,15H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:36,13,14,15,16;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;1;4;6;11;5;10;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nTaO1WTaTaTaWO1O1TaTaWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;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:.4025,-2.4624,2.9431;3.4999,-3.9331,-.3639;.0039,2.3006,-2.5524;-.0279,2.426,2.8244;2.3353,-2.6577,.0858;2.4044,2.7427,.0311;-2.4331,2.8776,.371;3.5409,4.1097,.1833;-3.6066,4.0756,-.1171;-2.5679,-.0311,2.4064;2.811,-.0634,2.4864;2.8473,.3589,-2.4522;.9308,-.984,1.0223;-1.0338,-1.0147,-1.032;.9807,.9639,-.9478;-.9819,1.0103,.9645;-3.1577,-1.0919,.8229;2.726,-1.1686,-1.4545;4.1928,.2147,3.5817;3.1374,1.3388,1.1407;.1922,3.6136,4.141;1.3364,1.1529,3.1728;-1.1036,.7775,-2.9866;-1.2531,-1.4274,2.8579;-1.3689,2.7455,-1.2082;-.4108,3.3274,-3.8935;1.0536,3.1765,1.2907;.8472,-3.1127,-1.1635;3.4314,-1.5371,1.3164;4.0163,-.0309,-3.6897;3.599,1.7029,-1.5174;-3.4581,1.6121,1.1928;1.8127,-1.4585,3.6616;1.4932,1.2286,-3.4399;-1.6147,1.4055,3.4095;-.0607,-.063,-.0166;-3.9569,-.3361,3.4847;-1.5269,3.6599,1.7079;1.336,-3.5104,1.5945;1.2888,3.3355,-1.6564;.038,-3.6808,4.2029;-1.1416,.0107,-2.3279;-2.5232,-1.1238,.0638;.1033,-2.4612,-1.2149;/R:/0/N:36,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,1,5,10,11,4,6,7,12,3/E:(2,3,4)/CRV:1.4,2.1,3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,16.1,33.4</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="orbital.energies.zora" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="20">219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238</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">-6.045 -5.965 -5.915 -5.881 -5.841 -5.798 -5.785 -5.732 -5.691 -5.660 -2.841 -2.357 -2.065 -1.915 -1.712 -1.601 -1.555 -1.406 -1.251 -1.011</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">0.00000000047704</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00036506320574</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00029095773541</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">73 73 73 73 73 73 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 74 33 1 1 1</array>
                     <array dataType="xsd:double" dictRef="x:coords" size="132">0.402493 -2.462364 2.943109 -0.027907 2.425979 2.824444 2.335251 -2.657745 0.085762 2.404384 2.742739 0.031137 -2.567860 -0.031116 2.406379 2.811029 -0.063442 2.486409 3.499857 -3.933056 -0.363898 3.540897 4.109739 0.183331 -3.606631 4.075563 -0.117120 0.930778 -0.984044 1.022334 -1.033839 -1.014696 -1.032039 0.980749 0.963892 -0.947784 -0.981931 1.010345 0.964503 -3.157680 -1.091894 0.822947 2.726016 -1.168625 -1.454541 4.192828 0.214668 3.581688 3.137446 1.338844 1.140680 0.192223 3.613618 4.141050 1.336381 1.152863 3.172803 -1.103563 0.777512 -2.986593 -1.253054 -1.427371 2.857941 -1.368884 2.745481 -1.208242 -0.410845 3.327387 -3.893478 1.053551 3.176508 1.290653 0.847188 -3.112683 -1.163539 3.431386 -1.537053 1.316380 4.016269 -0.030894 -3.689668 3.598961 1.702853 -1.517372 -3.458109 1.612143 1.192794 1.812682 -1.458458 3.661556 1.493196 1.228605 -3.439918 -1.614707 1.405498 3.409509 -3.956939 -0.336057 3.484740 -1.526936 3.659860 1.707943 1.336009 -3.510386 1.594541 1.288819 3.335530 -1.656367 0.038005 -3.680794 4.202857 0.003936 2.300611 -2.552442 -2.433110 2.877611 0.370953 2.847308 0.358926 -2.452221 -0.060655 -0.063031 -0.016626 -1.141580 0.010686 -2.327883 -2.523211 -1.123843 0.063778 0.103298 -2.461211 -1.214890</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">0.402493</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.462364</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.943109</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3882648E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">2</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.027907</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.425979</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.824444</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3882647E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.335251</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.657745</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.085762</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3882646E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">4</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.404384</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.742739</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.031137</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3882647E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">5</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.567860</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.031116</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.406379</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3882646E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">6</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.811029</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.063442</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.486409</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3882647E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">7</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.499857</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.933056</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.363898</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191410E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">8</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.540897</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">4.109739</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.183331</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191426E+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">-3.606631</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">4.075563</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.117120</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192813E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">10</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.930778</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.984044</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.022334</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190143E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">11</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.033839</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.014696</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.032039</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192078E+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">0.980749</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.963892</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.947784</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189891E+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">-0.981931</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.010345</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.964503</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190113E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">14</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.157680</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.091894</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.822947</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3186564E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">15</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.726016</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.168625</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.454541</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189028E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">16</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.192828</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.214668</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.581688</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191308E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">17</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.137446</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.338844</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.140680</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188095E+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">0.192223</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.613618</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">4.141050</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191289E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">19</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.336381</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.152863</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.172803</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188228E+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">-1.103563</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.777512</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.986593</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187418E+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">-1.253054</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.427371</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.857941</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187593E+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">-1.368884</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.745481</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.208242</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187822E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">23</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.410845</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.327387</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.893478</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193262E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">24</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.053551</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.176508</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.290653</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188330E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">25</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.847188</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.112683</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.163539</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3186535E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">26</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.431386</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.537053</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.316380</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188519E+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">4.016269</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.030894</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.689668</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192801E+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">3.598961</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.702853</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.517372</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190661E+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">-3.458109</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.612143</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.192794</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190330E+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">1.812682</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.458458</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.661556</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189064E+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">1.493196</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.228605</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.439918</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189433E+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">-1.614707</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.405498</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.409509</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188487E+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">-3.956939</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.336057</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.484740</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191402E+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">-1.526936</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.659860</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.707943</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190909E+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">1.336009</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.510386</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.594541</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188505E+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">1.288819</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.335530</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.656367</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189689E+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">0.038005</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.680794</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">4.202857</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191228E+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">0.003936</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.300611</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.552442</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361414E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">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">-2.433110</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.877611</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.370953</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361416E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">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">2.847308</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.358926</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.452221</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361416E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">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">-0.060655</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.063031</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.016626</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4276089E+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">-1.141580</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.010686</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.327883</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4256917E+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">-2.523211</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.123843</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.063778</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4528195E+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">0.103298</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.461211</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.214890</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4525262E+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">-1.733328</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.476070</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.646869</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4828778E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7970248E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4431761E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1885453E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6350545E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2026439E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5066097E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1035400E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2177418E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2699166E-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">0.5215899E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5365702E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1498026E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1298678E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2320450E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1678594E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6488302E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6791106E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5596664E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2587109E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">46</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.013844</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.832449</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.773017</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6782613E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1379467E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5936346E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9311603E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8267211E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2803983E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7009958E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2261622E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2772253E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1620012E-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">0.7912202E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8814445E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9022433E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2042903E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3421667E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2525907E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8899082E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1017410E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5970490E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2838391E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">47</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.865034</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.768570</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.640267</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1283048E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8515981E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5934829E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5897828E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1585988E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5401885E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1350471E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9361169E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4163633E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4338321E-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">0.1837459E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2324446E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4869874E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4779422E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7069535E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5620073E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1486603E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1944028E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6760589E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3780480E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">48</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.741071</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.369187</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.495038</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1105955E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2993008E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9725598E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1191796E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2567459E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4109347E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1027337E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1475374E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9205969E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1563491E+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">0.8425183E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6576999E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1848184E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1819848E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4163305E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1978011E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5351217E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3931535E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4371161E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3696376E+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">-1.679226</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.900984</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.648212</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4246143E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1875959E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8186965E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1526775E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7196644E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1670806E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4177014E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6592171E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2131465E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7398735E-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">0.4268536E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4360058E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9152182E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1094069E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2002615E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1309970E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4802225E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4846892E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5463199E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2727840E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">50</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.860891</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.799707</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.467017</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1491419E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1271371E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9359511E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8578767E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6654291E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6399131E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1599783E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1273381E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4516736E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3624875E-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">0.2270821E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2941860E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6710385E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5841411E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8388603E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6847829E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1599938E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2122185E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6963509E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4280058E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">51</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.973825</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.191379</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.815139</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1948159E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1598176E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8739653E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1135371E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7080141E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7260721E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1815180E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2014343E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6213563E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4641481E-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">0.3089910E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4364639E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1274729E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8340990E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1137185E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8324159E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1721896E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2362133E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7334772E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4834299E+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">-2.854911</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.582516</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.554052</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1257815E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1171783E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3173929E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6119930E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9475241E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5007281E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1251820E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8503450E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4345492E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6914651E-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">0.1741176E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2230532E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4893558E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4654510E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6911721E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5188842E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1391320E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1814308E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6734227E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3729439E+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">-3.315526</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.193552</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.985823</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2156302E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4374213E-10</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3407701E-10</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7387823E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2641119E-10</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8128188E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2032047E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2515018E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6573583E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2435378E-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">0.3581003E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5129959E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1548956E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9549880E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1277079E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9543809E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1838681E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2528691E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7477907E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5190572E+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">0.494524</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.727594</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.382639</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1076759E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1926369E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7976050E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7107099E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1603001E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4005109E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1001277E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1417704E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9033642E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1579911E+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">0.8182711E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6352650E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1830061E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1756074E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4029797E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1924899E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5403147E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3928389E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4357725E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3562552E+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">-3.067691</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.524775</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.107406</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2377637E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3269216E-10</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2196527E-10</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2240201E-10</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9189883E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8777551E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2194388E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3051897E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7163890E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2696117E-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">0.4082984E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5971580E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1888596E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1087875E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1428466E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1056965E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1927389E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2661460E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7615688E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5483918E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">56</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.592380</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.539726</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.590534</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9978631E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1332274E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1043939E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7676697E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3095592E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3905595E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9763988E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1231208E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8160389E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1455767E+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">0.7837291E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5910594E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1926697E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1586645E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3670786E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1835010E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5172271E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3697241E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4322357E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3547785E+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">1.592703</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.777851</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.538923</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4855400E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3340838E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2008485E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2644437E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3662570E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2065608E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5164020E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1065399E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2155793E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1945040E-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">0.5298106E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5432192E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1340859E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1308233E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2335102E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1714300E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6630076E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6950110E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5602467E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2585641E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">58</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.054440</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.732264</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.925063</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1243724E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2866177E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6497082E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2648706E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8815919E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5069149E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1267287E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8361890E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4212615E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1016529E-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">0.1734624E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2201960E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4673364E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4585119E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6823783E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5222203E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1382311E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1794002E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6719322E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3777878E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">59</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.242388</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.010031</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.353033</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2551479E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1881159E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7567114E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1007453E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1396849E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9672503E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2418126E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9983602E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1575412E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1929619E+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">0.2247008E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2075890E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1711178E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5547632E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1114668E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5728701E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1070139E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9617623E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4976938E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5353230E+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">-0.665558</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.608021</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.592242</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9054075E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9620408E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8914148E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9091377E-19</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3616897E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3253442E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8133605E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8947806E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8330612E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1515298E+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">0.6551702E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4969799E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1581903E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1393725E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3253422E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1489359E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4284038E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2990551E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4283875E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3476531E+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">-0.016117</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.849752</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.088980</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4152004E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2977591E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1311388E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8425771E-19</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2671930E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1601235E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4003087E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2489376E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4615879E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1776831E+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">0.2976687E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1950288E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1026400E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4928659E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1106046E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7185443E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4150795E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2168259E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4456106E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1731101E+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">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.015694</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.017192</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.575239</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3460937E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6939368E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5211445E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1672889E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4265806E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1292168E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3230419E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9576631E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4222962E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5181337E+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">0.2380978E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1531538E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8494407E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3866429E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8129405E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4660223E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1683524E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9171410E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4756103E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2768136E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</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">-1.991591</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.064581</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.277919</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3322472E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2561312E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1272164E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2167861E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4922349E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1035436E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2588591E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4318868E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2285205E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3030881E-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">0.2711638E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2834684E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1230466E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7888603E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1511110E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8673391E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4828966E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4562746E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5220403E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1796118E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">64</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.941631</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.292881</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.092591</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2095666E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5246239E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2393918E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2821094E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3719356E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7708227E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1927057E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2347594E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6609909E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4053284E-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">0.3407649E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4888242E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1480593E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9193506E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1236077E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9011781E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1806664E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2498512E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7437651E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4988079E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">65</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.012694</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.269237</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.575046</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1873936E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6283907E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2404860E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5272880E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3409750E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6500284E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1625071E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4188533E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1401540E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1775375E+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">0.1462981E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1300891E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1620900E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3676135E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7789855E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3501795E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6669074E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5655490E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4719132E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5250796E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">66</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.817798</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.050524</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.231746</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6493006E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8356857E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6047239E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4117851E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4038721E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2800668E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7001670E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2145854E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2580841E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3425045E-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">0.7679479E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8357288E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6778090E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1927434E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3255413E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2500289E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8983237E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1016181E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5920705E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2783282E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">67</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.011390</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.055157</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.881619</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3519247E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4240498E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2177142E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2516186E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2628819E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1284359E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3210897E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1498462E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4368607E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1546210E+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">0.2374384E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1537871E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8365133E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3953527E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8375731E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5428711E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3063234E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1537126E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4720217E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1772216E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">68</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.131388</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.182458</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.473322</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3034872E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3185844E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2734793E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1431109E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7889477E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1501514E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3753784E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5098436E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6290008E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9136519E-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">0.1432699E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6619183E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5186483E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1506280E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1893830E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1457616E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5360699E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1240803E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7953616E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2719078E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">69</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.527874</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.661388</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.569418</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9078422E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1261579E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7659090E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9868224E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1764823E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3441386E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8603464E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1032328E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7910983E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1557019E+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">0.6870007E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5136550E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1733457E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1398725E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3264365E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1611019E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5148099E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3543546E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4284829E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3129347E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">70</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.724383</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.537809</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.598451</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6750525E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9111758E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3589457E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2497386E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7993935E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2486166E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6215414E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4709705E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6683116E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1396483E+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">0.4835915E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3456416E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1379499E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9422551E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2230058E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1064244E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3413847E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2198747E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4225249E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3117434E+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">-0.573556</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.475728</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.754279</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1481223E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1282340E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1152913E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4499439E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3357639E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5799801E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1449950E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1167043E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4926829E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8102599E-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">0.2157243E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2864536E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7072927E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5788228E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8323423E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6218683E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1493080E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1987912E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6954144E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4165004E+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">-0.495114</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.680260</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.859518</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3413355E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1122910E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4324294E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5932216E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8497180E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1402472E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3506179E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4440311E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1764770E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1189791E+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">0.3368720E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3231260E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1374596E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8177622E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1558726E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1065045E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4457487E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4243254E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5246351E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2389340E+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">-0.960936</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.437629</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.180607</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2657307E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1861224E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1602057E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6754188E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6643617E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9984253E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2496063E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1180695E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1633179E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2311373E+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">0.2343462E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2190861E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1526014E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5856535E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1168237E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6072021E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1265958E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1142230E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5013137E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4796384E+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">0.548062</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.560492</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.769484</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6735806E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2275453E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2037657E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2270329E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9869634E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2463234E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6158086E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4631281E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6720838E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1398290E+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">0.4795182E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3432278E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1362904E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9395168E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2223598E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1052535E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3358775E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2164140E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4225210E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3133687E+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">-0.870268</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.879795</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.120540</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1312526E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3650181E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2646266E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2411401E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7115077E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5219852E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1304963E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9182529E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4475090E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1279866E-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">0.1843280E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2381596E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5383167E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4926394E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7254445E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5446706E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1404768E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1839813E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6790863E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3877299E+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">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.009004</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.475167</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.032211</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4014220E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2134345E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6068315E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6184424E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1950568E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1582108E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3955271E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1389942E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4416168E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3205163E+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">0.2927966E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1900662E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1027305E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4711798E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1047405E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5856443E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1966905E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1124012E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4498544E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2977492E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</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">1.379357</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.012935</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.142673</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2911604E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4460342E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3906902E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7054781E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2032995E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1152722E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2881805E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1880479E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1647312E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5545050E+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">0.2712409E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2543012E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1693965E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6615482E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1298102E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7486968E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1988767E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1820949E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5096272E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3764628E+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">-0.254649</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.946886</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.127889</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3340713E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3430612E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3047264E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1045229E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1179312E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1038228E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2595571E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4382295E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2299953E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2779823E-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">0.2725329E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2855087E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1297580E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7946403E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1520653E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8721580E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4867733E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4606850E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5225652E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1791713E+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">1.119497</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.112565</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.166644</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4137698E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2970111E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8907519E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1970523E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2035966E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1476428E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3691071E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8022233E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4977356E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9419940E-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">0.2766910E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1842749E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9241608E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4906028E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1099953E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4848979E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6638361E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5043453E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4460218E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7304483E+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">-0.355815</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.480110</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.646245</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1301168E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1431259E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3270407E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1792236E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1419617E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5184902E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1296225E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2254355E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9566681E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1507901E+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">0.1070827E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8454277E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2253989E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2260282E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5064706E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2586321E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6418256E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4931333E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4462810E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4029631E+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">-0.720091</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.526602</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.833262</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1278704E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6265614E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5499344E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8458945E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2880901E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5332664E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1333166E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9017773E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4193906E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3770931E-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">0.1820639E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2308113E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4874735E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4757859E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7042336E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5520671E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1427822E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1858947E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6756080E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3866499E+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">0.482809</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.594691</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.711692</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5958016E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7674509E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2445892E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1308581E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7155650E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2366054E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5915135E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1488066E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2647024E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2790317E-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">0.6553008E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7190880E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6378726E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1718649E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2950897E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2024375E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6832603E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7527944E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5824158E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2962816E+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">-0.531591</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.522576</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.508731</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1877207E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1134552E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4787837E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7008283E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7528700E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4774411E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1193603E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1245579E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8882742E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4922189E-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">0.2562813E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3932023E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1369210E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7938431E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1090051E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5406739E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1115589E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1516279E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7282620E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4846534E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">84</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.090314</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.296795</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.894099</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5301173E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6361870E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8077593E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6278169E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6367906E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1330538E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3326346E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1158635E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3874411E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1069854E-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">0.4365503E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5404660E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1039157E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1470780E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2582015E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1282242E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7011484E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7609225E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5696248E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1828774E+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">-0.504887</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.455847</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.452156</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1762012E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5107163E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3608225E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3365364E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1318390E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4618177E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1154544E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1150799E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8263375E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5401075E-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">0.2359768E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3564992E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1205224E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7295644E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1014137E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5174150E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1146624E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1563672E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7193943E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4512508E+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">0.515540</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.756291</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.541061</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7333339E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1963958E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6161760E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1771265E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5831596E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2740356E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6850891E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5582533E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6960531E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1372174E+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">0.5362024E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3873158E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1488866E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1052254E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2486677E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1184879E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3536748E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2346916E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4231568E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3350194E+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">1.872087</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.648973</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.676673</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3950468E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4165688E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2471282E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2573127E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3343578E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1543507E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3858767E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5464733E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2045749E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6475493E-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">0.3888189E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3917612E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2942222E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9936876E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1843525E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1185234E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4379931E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4335872E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5390149E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2706057E+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">0.207068</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.117628</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.620574</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2126760E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1417296E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2962657E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9645594E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9952792E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7956204E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1989051E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2425926E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6563034E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3778499E-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">0.3501735E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5014420E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1512684E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9375828E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1257077E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9311570E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1811982E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2491868E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7458436E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5138887E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">89</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.534998</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.871106</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.568204</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1256120E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3017986E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2154987E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5314962E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2044941E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5009288E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1252322E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8484259E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4334002E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6718313E-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">0.1739476E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2226629E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4871537E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4646150E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6901137E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5188147E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1390324E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1812242E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6732442E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3731611E+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">-0.473898</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.908119</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.892533</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1329142E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2525699E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2466018E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3882799E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3836043E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5733949E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1433487E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1012764E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4160174E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2581136E-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">0.1949584E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2465681E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5160970E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5009720E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7358919E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5988040E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1514938E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1983807E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6807685E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3952662E+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">0.701911</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.745827</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.998751</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1550475E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4438796E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3085368E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3063955E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8919596E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6492246E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1623062E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1388064E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4749625E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1685293E-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">0.2366863E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3110665E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7438017E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6151834E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8767403E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7047305E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1666114E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2235798E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7016712E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4229786E+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">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.523906</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.039113</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.015085</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3391997E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4027839E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1477057E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6955701E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3682116E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1328558E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3321395E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9715650E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3971839E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5415852E+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">0.2434131E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1546867E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8872643E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3764081E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7838405E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4789663E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1767905E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9542403E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4802101E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2709232E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</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">-0.218743</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.854858</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.277735</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2423692E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1740168E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1234635E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1463673E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1226233E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9117075E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2279269E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3226017E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7121205E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5126167E-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">0.4224703E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6170136E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1945434E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1116062E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1460305E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1102427E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1973662E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2719316E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7642667E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5585691E+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">0.693140</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.838053</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.060995</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1693503E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9394461E-09</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6458250E-09</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5032348E-09</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4606774E-09</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6695702E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1673926E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1557462E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5334907E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5459020E-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">0.2604323E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3534721E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9303977E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6919896E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9693509E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7399610E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1628909E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2197325E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7138691E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4542678E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">95</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.543055</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.815503</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.009209</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1133224E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2440927E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1300910E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8905141E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1863530E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4796180E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1199045E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7161250E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3812801E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4076858E-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">0.1561317E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1923588E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3622717E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4050167E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6138915E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4846001E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1358714E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1737277E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6597529E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3566607E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">96</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.089962</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.064978</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.532814</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2148549E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2374037E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4414058E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3436921E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2307182E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7940071E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1985018E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2459119E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6689046E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3891689E-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">0.3536324E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5087631E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1551307E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9504123E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1271825E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9322238E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1812203E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2497237E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7472823E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5144148E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">97</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.651144</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.691002</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.939916</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3714507E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7266522E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1614868E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3725145E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6026428E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1573900E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3934749E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5651564E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1810526E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5091167E-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">0.3810494E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3686238E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1242556E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9153488E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1717715E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1223911E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5070918E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4942044E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5328874E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2413589E+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">1.505677</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.061286</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.265617</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1940857E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8314887E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1900069E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7207309E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3685347E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6575673E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1643918E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5309301E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1468911E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2623649E+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">0.1498407E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1352896E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1455111E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3852209E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8115401E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3708442E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9085721E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7610462E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4746788E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4081616E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">99</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.415229</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.507735</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.485358</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1821844E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3950874E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2295039E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2171527E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2372061E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4901654E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1225413E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1269179E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8231060E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5798200E-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">0.2498018E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3770622E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1272604E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7627811E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1053472E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5536185E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1203397E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1646322E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7240641E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4600465E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">100</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.440886</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.427691</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.466024</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1712642E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4035900E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2376571E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2418205E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2189221E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4427037E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1106759E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1071419E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8221374E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7418113E-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">0.2254353E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3401947E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1147594E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7024368E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9818353E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4929331E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1115092E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1517735E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7154324E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4420559E+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">2.904548</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.054294</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.738130</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1249646E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1196622E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2646809E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6160979E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9910963E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5085631E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1271408E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8422074E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4232334E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1288089E-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">0.1744442E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2217477E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4730345E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4614249E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6860723E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5243204E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1381858E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1794314E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6725602E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3794314E+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">2.537160</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.873438</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.716731</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7394009E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7952539E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1490100E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5878747E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5144200E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3266091E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8165227E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2975433E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2748221E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4897026E-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">0.9183459E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1020169E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1018232E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2292055E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3775693E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3011057E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1042034E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1217818E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6070555E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2889596E+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">0.898699</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.007826</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.218356</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1401739E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1246829E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1016033E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1769960E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7006657E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5607607E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1401902E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1059707E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4648155E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3560024E-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">0.2020644E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2639386E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6187423E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5377838E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7817497E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5936263E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1470332E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1943124E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6879233E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4037364E+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">0.793661</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.727586</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.999651</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1130799E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8485732E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7619231E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2737610E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3725590E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4267062E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1066766E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6225229E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4270317E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1177841E-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">0.1470415E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1874064E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4036493E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4038615E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6123982E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4290411E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1175813E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1497989E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6594753E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3648887E+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">1.656086</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.815463</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.447184</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3804975E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9052327E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4267776E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7802402E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1689153E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1566695E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3916737E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5829093E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1893281E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5061527E-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">0.3847072E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3777407E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6966504E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9451936E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1765826E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1226457E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5065288E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4969619E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5352699E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2421298E+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">1.803240</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.857085</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.840210</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1081571E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1296644E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2722471E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9821236E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8016243E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4666303E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1166576E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1481032E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7811450E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1275838E+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">0.9295946E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6926135E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2369811E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1766546E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4051776E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2185259E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5223547E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3885404E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4359929E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4183476E+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">1.801016</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.093968</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.887558</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1224820E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5829960E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3073343E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2107000E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4483698E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4839338E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1209835E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7939891E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4301444E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2051182E-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">0.1673896E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2137957E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4640611E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4492431E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6706011E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4980725E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1348293E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1749121E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6699110E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3694098E+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">1.424443</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.181198</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.916519</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2710472E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2390815E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1456825E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1253910E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1421749E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1044743E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2611857E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1120947E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1613165E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1820557E+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">0.2443464E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2275070E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1683931E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6013282E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1195256E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6243693E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1065426E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9713107E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5030956E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5860279E+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">2.239994</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.532067</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.006702</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1988512E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7045136E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2475447E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4051920E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5204618E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6941064E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1735266E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5219484E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1448997E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1988604E+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">0.1575910E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1416554E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1593561E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3978836E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8348073E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3855503E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8076363E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6873457E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4766173E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4773811E+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">2.838150</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.036256</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.029358</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3456129E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2881600E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8911277E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2036528E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1833593E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1335657E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3339142E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1494599E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4076006E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1398142E+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">0.2452934E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1566726E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8862080E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3859269E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8109102E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5585128E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3114289E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1558357E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4759181E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1793388E+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">1.682947</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.962281</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.706553</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1555719E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5307561E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3788075E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8422790E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3620947E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6528398E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1632100E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1402420E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4749981E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1960944E-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">0.2380140E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3128181E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7480405E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6179595E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8801146E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7093342E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1675602E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2249963E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7021353E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4233310E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">112</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.835466</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.516357</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.718192</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3172921E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2757418E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1174708E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4848946E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2447099E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1298837E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3247093E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3707713E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1687164E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1099638E+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">0.3077792E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2908490E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1693014E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7418751E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1433142E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9679034E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4106984E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3830723E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5176563E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2356726E+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">2.160140</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.939443</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.441424</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2524469E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7424615E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6745263E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9851139E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2942089E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9448849E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2362212E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1041438E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1584349E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2251895E+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">0.2198570E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2034927E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1636425E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5469468E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1101042E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5665731E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1199442E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1070383E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4967539E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4723638E+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">2.272926</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.801894</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.089782</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9909226E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1036782E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4440912E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6706827E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6541290E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4129630E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1032407E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5242736E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3540801E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3336606E-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">0.1297530E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1562652E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2651225E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3386658E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5270097E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4044093E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1204189E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1499190E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6426178E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3358353E+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">2.116125</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.825607</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.965137</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1640811E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9142170E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7589415E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1607330E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8967707E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6344639E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1586160E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1430824E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5341180E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5548220E-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">0.2469434E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3352709E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8832743E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6634322E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9350919E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6965334E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1571911E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2116799E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7094834E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4431126E+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">2.028272</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.579503</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.841782</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1105246E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4968150E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3373902E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2135065E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2956484E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4682081E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1170520E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6798876E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3746326E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5345577E-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">0.1511205E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1851890E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3406849E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3917389E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5966887E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4705421E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1337922E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1703085E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6565215E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3516963E+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">2.961339</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.343637</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.155133</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2155386E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1011015E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5801566E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7976475E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2220988E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8172736E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2043184E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2524270E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6533121E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3144773E-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">0.3586851E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5130517E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1543667E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9544468E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1276458E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9593072E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1845429E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2536533E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7477307E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5198287E+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">2.786221</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.990922</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.620730</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1423941E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1218260E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3310232E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9470289E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6911708E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5903492E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1475873E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1151510E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4532359E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2428728E-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">0.2098780E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2721687E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6229068E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5491713E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7958421E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6289020E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1569910E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2085576E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6900506E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4005975E+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">3.010381</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.187172</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.784861</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6922551E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7490128E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6854021E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1445716E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2652230E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2988982E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7472454E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2477492E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2690709E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3166712E-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">0.8332670E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9192886E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8602158E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2099294E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3502340E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2706254E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9479022E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1089282E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5993975E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2854993E+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">3.126033</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.844401</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.859833</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1290890E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2881256E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1104192E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2551128E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7577218E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5160571E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1290143E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8923870E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4402818E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2717437E-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">0.1806806E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2323469E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5166630E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4818412E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7118671E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5366494E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1399739E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1829108E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6768697E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3833924E+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">2.777920</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.457143</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.910841</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1866965E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1172193E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7240438E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9210297E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3876023E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7619043E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1904761E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1960155E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5515772E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2984342E-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">0.3020878E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4136996E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1116117E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7880733E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1083271E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8605323E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1763597E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2389661E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7274941E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4879416E+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">3.554630</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.085673</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.075840</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2159044E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3003568E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2630274E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3852983E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1398079E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7936717E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1984179E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2477825E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6746441E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1736429E-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">0.3553811E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5123442E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1569632E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9566073E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1278938E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9333264E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1814744E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2503727E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7479701E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5143019E+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">3.479158</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.148125</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.120927</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2379485E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1504629E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1012721E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3553852E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1054517E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8743471E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2185868E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3043777E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7201133E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9484338E-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">0.4080699E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5975530E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1894831E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1089003E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1429741E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1053122E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1920315E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2652134E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7616782E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5484111E+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">2.973215</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.681962</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.769994</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1280777E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2774620E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6380869E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1134347E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2450432E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5487753E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1371938E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9483872E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4086405E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1773389E-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">0.1849008E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2326078E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4770698E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4768150E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7055320E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5706277E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1509566E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1973226E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6758234E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3780077E+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">3.246199</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.082169</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.944335</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2057549E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3904700E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9538269E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3650509E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1005326E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7613222E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1903306E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2268189E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6490750E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3715434E-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">0.3327851E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4752395E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1424545E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8971228E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1210406E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8859089E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1793603E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2476971E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7411753E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4939269E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">126</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.813019</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.040562</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.854647</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9334579E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2697281E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1191369E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2396911E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3328338E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3824582E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9561455E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4534105E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3460884E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1322400E-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">0.1188948E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1421751E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2328030E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3127361E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4923758E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3697541E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1135116E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1396192E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6351573E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3257411E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">127</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.004536</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.176196</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.511018</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2594207E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8662811E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2274717E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7168456E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4858578E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9654476E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2413619E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1248542E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1622652E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3593567E+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">0.2261824E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2110028E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1517956E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5671848E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1136262E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5981412E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1490390E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1330552E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4991673E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4013321E+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">0.272459</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.607888</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.202214</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3252582E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7768173E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3573741E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4552341E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5181610E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1635459E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4088646E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5805946E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6481677E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1063316E-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">0.1691117E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7470880E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5779763E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1652048E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2053245E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1639890E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5691652E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1360675E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8046035E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2881220E+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">1.155776</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.920577</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.319721</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1692168E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1291766E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4634964E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9473216E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7459311E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6519915E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1629979E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1552392E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5471552E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3392901E-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">0.2573071E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3516164E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9430927E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6912628E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9684813E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7235521E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1642887E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2231614E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7137595E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4404149E+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">3.016257</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.478158</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.112565</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2163239E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6006612E-08</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3827544E-08</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4600758E-08</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5121652E-09</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8018662E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2004666E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2499489E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6699133E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1365188E-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">0.3574697E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5144729E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1570032E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9590861E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1281783E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9428376E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1821813E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2509681E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7482441E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5175270E+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">-2.666082</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.115282</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.236386</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3255666E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7573150E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7509134E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8744605E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4481349E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1637242E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4093105E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5813375E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6484853E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1645787E-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">0.1695127E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7483359E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5788232E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1654137E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2055523E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1642484E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5694375E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1361984E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8047283E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2884397E+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">97 90 129 103 88 117 82 71 81 93 104 94 72 96 91 95 75 66 57 102 89 101 107 130 105 118 111 119 126 55 49 50 51 64 45 52 47 46 58 53 112 122 124 116 120 114 87 121 123 125 115 99 83 84 63 78 100 85 131 68 128</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 36 42 43 44 36 36 43 42 44</array>
                     <array dataType="xsd:double" dictRef="a:distance" size="61">2.480704 1.954304 1.874200 1.946392 1.790080 1.784635 2.305626 1.932582 1.972161 1.739164 2.038310 1.877479 2.524591 1.786728 1.898278 2.021227 1.975251 2.239670 2.377179 2.177776 1.995508 1.992958 2.000473 1.784240 2.479782 1.933750 1.897178 2.215008 2.107975 1.746556 2.438217 1.908899 1.824131 1.794605 2.383027 1.995092 1.970317 2.228370 1.994651 1.784767 2.554676 1.785035 1.970771 2.031040 1.981247 2.079360 2.472520 1.828521 1.746341 1.801406 1.888255 1.706060 1.698181 1.655967 1.852285 1.849033 1.733825 1.721482 0.989904 1.011615 0.990164</array>
                     <array dataType="xsd:double" dictRef="a:length" size="61">2.482552 1.954426 1.874336 1.946734 1.790087 1.784647 2.307141 1.934223 1.972399 1.739184 2.038959 1.878019 2.526420 1.786733 1.898482 2.021397 1.975601 2.240388 2.379240 2.177945 1.996973 1.993325 2.000905 1.784245 2.481601 1.933923 1.897404 2.215843 2.108295 1.746565 2.440234 1.909108 1.824478 1.794755 2.384953 1.996514 1.970443 2.228888 1.995047 1.784780 2.556363 1.785034 1.970976 2.031171 1.981608 2.079889 2.474097 1.828647 1.746349 1.801587 1.888770 1.706095 1.698184 1.660286 1.859867 1.856896 1.733865 1.721558 0.989969 1.011693 0.990225</array>
                     <array dataType="xsd:double" dictRef="a:steps" size="61">29 25 25 25 24 24 27 27 25 24 26 26 29 25 26 25 26 27 27 26 27 25 25 25 29 25 27 25 25 23 27 26 24 27 27 25 24 26 25 24 29 22 24 25 24 25 29 22 21 23 27 24 20 24 25 24 23 24 18 20 18</array>
                  </list>
               </module>
               <module cmlx:templateRef="mulliken" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="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">Ta O W Ta Ta Ta W O O Ta Ta 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">2.2261 -0.9197 2.4665 2.1923 2.2007 2.2232 2.4504 -0.9193 -0.8179 2.2084 2.1991 2.4601 -1.0903 -0.9416 -1.1158 -1.0968 -0.8626 -0.9767 -0.9279 -1.0196 -0.9297 -1.0177 -0.7900 -1.0545 -1.0090 -0.7817 -1.0164 -0.8635 -1.0428 -0.8213 -0.9409 -0.9535 -1.0255 -0.9870 -1.0505 2.3249 -0.9211 -0.9264 -1.0455 -0.9768 -0.9415 0.2768 0.2772 0.2778</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="44">2.1075 1.9442 2.1138 2.1258 2.1295 2.1163 2.0919 1.9458 1.9633 2.1291 2.1292 2.0833 1.9365 1.9597 1.9301 1.9335 1.8672 1.9345 1.9444 1.9243 1.9446 1.9245 1.8761 1.9198 1.9246 1.9654 1.9265 1.8664 1.9293 1.9636 1.9546 1.9474 1.9366 1.9413 1.9294 0.8776 1.9450 1.9554 1.9308 1.9425 1.9447 0.5557 0.5733 0.5726</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="44">6.0734 4.9480 6.0956 6.0842 6.0861 6.0738 6.0983 4.9457 4.8199 6.0837 6.0907 6.0981 5.1191 4.9455 5.1504 5.1287 4.9679 5.0141 4.9560 5.0696 4.9577 5.0677 4.8839 5.1122 5.0567 4.7808 5.0633 4.9698 5.0887 4.8230 4.9513 4.9739 5.0593 5.0130 5.0958 1.2352 4.9485 4.9353 5.0873 5.0052 4.9694 0.1676 0.1495 0.1497</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="44">2.5614 0.0275 3.2951 2.5646 2.5504 2.5535 3.3323 0.0278 0.0347 2.5456 2.5475 3.3311 0.0347 0.0365 0.0353 0.0346 0.0275 0.0282 0.0275 0.0257 0.0274 0.0256 0.0300 0.0226 0.0278 0.0355 0.0266 0.0273 0.0248 0.0347 0.0350 0.0321 0.0296 0.0327 0.0253 10.5624 0.0275 0.0357 0.0274 0.0291 0.0274 0.0000 0.0000 0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="44">14.0316 0.0000 14.0290 14.0330 14.0332 14.0332 14.0272 0.0000 0.0000 14.0332 14.0336 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">Ta O W Ta Ta Ta W O O Ta Ta 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">2.293034 -0.997201 2.514828 2.338773 2.363855 2.344542 2.434157 -0.993718 -0.859065 2.359327 2.357289 2.428823 -1.108585 -0.795717 -1.107258 -1.106637 -0.696494 -0.987278 -1.006289 -1.040070 -1.007395 -1.044767 -0.640901 -1.064914 -0.993256 -0.818443 -1.030831 -0.698186 -1.053243 -0.861493 -0.931251 -0.958124 -1.022977 -0.962771 -1.054348 2.296347 -0.997752 -0.923690 -1.044081 -0.967659 -1.020982 0.030513 0.016670 0.017216</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="44">1.823194 -0.912269 1.958941 1.836341 1.879229 1.839314 1.919918 -0.919295 -0.750682 1.867197 1.850679 1.913253 -0.766651 -0.566239 -0.762601 -0.763658 -0.899528 -0.757361 -0.940970 -0.794410 -0.937833 -0.811687 -0.782331 -0.805145 -0.732514 -0.699208 -0.797442 -0.901006 -0.873708 -0.750731 -0.782458 -0.796677 -0.872599 -0.783305 -0.877482 1.663817 -0.913093 -0.777598 -0.870316 -0.804757 -0.948855 0.254915 0.272345 0.273263</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="44">1.962553 -0.901347 2.062215 1.943773 1.987302 1.940036 2.008851 -0.894063 -0.739501 1.976366 1.966016 2.009898 -0.841190 -0.576185 -0.824491 -0.833647 -0.938868 -0.844320 -0.910478 -0.881854 -0.910059 -0.898750 -0.833583 -0.917397 -0.838702 -0.681892 -0.877684 -0.925901 -0.949482 -0.738549 -0.791146 -0.818345 -0.899615 -0.823993 -0.955704 1.641595 -0.899092 -0.777437 -0.920661 -0.861755 -0.944575 0.320971 0.323390 0.307302</array>
                  </list>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">-21.35157711 -9.83361920 -33.20149984</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">40.68082477</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-1.79333726 24.96450462 19.20427737 3.73826216 18.45609609 -1.94492491</array>
               </module>
               <module cmlx:templateRef="bonding.energy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-293.2501</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">340.0210</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">-41.7640</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-340.8305</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-44.8288</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-380.6524</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:52  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:54  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:56  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:26:58  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">Jun20-2024 08:27:01  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:27:03  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Tantalum (TZP, 4d frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:27:07  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:27:09  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">Jun20-2024 08:27:13  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Jun20-2024 08:27:14  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">Jun20-2024 08:27:17  Nodes: 1  Procs: 5</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">*** (NO TITLE) ***</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-6</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.43748439</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.73451428</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.73628260</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.74138049</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.83384208</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.88163469</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.90461638</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.91420142</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.92416364</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.92782739</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.92982293</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.93315448</scalar>
                  <scalar dataType="xsd:double"
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