<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:a="http://www.iochem-bd.org/dictionary/adf/"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="adf.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">ADF</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">2019</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2019-04-25</scalar>
               </parameter>
               <parameter dictRef="cc:programFlavour">
                  <scalar dataType="xsd:string">x86_64_linux_intel / intelmpi</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:string">Apr16-2024 02:11:05</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Silicon (TZP, 1s frozen)</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="168" startLine="166">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="171" startLine="170">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="179" startLine="173">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">0.60</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.03</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">0.68</scalar>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="orbital.energies.zora" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="11">1 2 3 4 5 1 2 3 4 5 1</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="11">2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="11"
                            units="nonsi:electronvolt">-139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="11">S S S S S P P P P P D</array>
                  </list>
               </module>
               <module cmlx:templateRef="orbital.energies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies">
                     <array dataType="xsd:string" dictRef="cc:irrep" size="11">S P S P P S D P S P S</array>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="11">1 1 2 2 3 3 1 4 4 5 5</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="11">2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="11"
                            units="nonsi:electronvolt">-139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008</array>
                  </list>
               </module>
               <module cmlx:templateRef="mulliken" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="1">Si</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="1">-0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="1">4.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="1">8.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="1">0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="1">0.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:05  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:05  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
               </module>
            </module>
         </module>
      </module>
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">ADF</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">2019</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2019-04-25</scalar>
               </parameter>
               <parameter dictRef="cc:programFlavour">
                  <scalar dataType="xsd:string">x86_64_linux_intel / intelmpi</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:string">Apr16-2024 02:11:06</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Silicon (TZP, 1s frozen)</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="1003" startLine="1001">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="1006" startLine="1005">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="1014" startLine="1008">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">1.34</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.02</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">1.48</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 407.2741 82466.5953</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">Apr16-2024 02:11:05  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:05  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:06  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:07  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:compileDate">
                  <scalar dataType="xsd:string">2019-04-25</scalar>
               </parameter>
               <parameter dictRef="cc:programFlavour">
                  <scalar dataType="xsd:string">x86_64_linux_intel / intelmpi</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:string">Apr16-2024 02:11:09</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Silicon (TZP, 1s frozen)</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="2034" startLine="2032">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="2037" startLine="2036">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="2045" startLine="2039">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">0.44</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.04</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">0.51</scalar>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="orbital.energies.zora" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="7">1 2 3 1 2 3 1</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="7">2.000 0.000 0.000 4.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="7"
                            units="nonsi:electronvolt">-24.020 24.654 804.880 -9.089 9.585 104.336 29.005</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="7">S S S P P P D</array>
                  </list>
               </module>
               <module cmlx:templateRef="orbital.energies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies">
                     <array dataType="xsd:string" dictRef="cc:irrep" size="7">S P P S D P S</array>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="7">1 1 2 2 1 3 3</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="7">2.00 4.00 0.00 0.00 0.00 0.00 0.00</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="7"
                            units="nonsi:electronvolt">-24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804</array>
                  </list>
               </module>
               <module cmlx:templateRef="mulliken" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="1">O</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="1">-0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="1">2.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="1">4.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="1">0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="1">0.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:05  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:05  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:06  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:07  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">Apr16-2024 02:11:09  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:09  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Oxygen (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
               </module>
            </module>
         </module>
      </module>
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">ADF</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">2019</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2019-04-25</scalar>
               </parameter>
               <parameter dictRef="cc:programFlavour">
                  <scalar dataType="xsd:string">x86_64_linux_intel / intelmpi</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:string">Apr16-2024 02:11:09</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Silicon (TZP, 1s frozen)</scalar>
               </parameter>
               <parameter dictRef="cc:nodeName">
                  <array dataType="xsd:string" size="24">kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200</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="2876" startLine="2874">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="2879" startLine="2878">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="2887" startLine="2881">
                     <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">1.33</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.03</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">1.46</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">Apr16-2024 02:11:05  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:05  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:06  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:07  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">Apr16-2024 02:11:09  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:09  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">Apr16-2024 02:11:09  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Tungsten (TZP, 4d frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
               </module>
            </module>
         </module>
      </module>
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">ADF</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">2019</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2019-04-25</scalar>
               </parameter>
               <parameter dictRef="cc:programFlavour">
                  <scalar dataType="xsd:string">x86_64_linux_intel / intelmpi</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:string">Apr16-2024 02:11:13</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Silicon (TZP, 1s frozen)</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:runtype">
                  <scalar dataType="xsd:string">GEOMETRY OPTIMIZATION</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.0">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.1">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.2">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.3">TZP</scalar>
               </parameter>
            </parameterList>
            <molecule id="coordinates">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="-0.2366"
                        y3="-2.4557"
                        z3="2.7006"/>
                  <atom elementType="O"
                        id="a2"
                        x3="1.5666"
                        y3="-1.9333"
                        z3="2.9530"/>
                  <atom elementType="Ta"
                        id="a3"
                        x3="0.0762"
                        y3="2.3462"
                        z3="-2.5915"/>
                  <atom elementType="O"
                        id="a4"
                        x3="0.5149"
                        y3="1.0305"
                        z3="-3.6258"/>
                  <atom elementType="O"
                        id="a5"
                        x3="-3.2056"
                        y3="0.5150"
                        z3="-3.5451"/>
                  <atom elementType="W"
                        id="a6"
                        x3="2.6901"
                        y3="2.1597"
                        z3="-0.3666"/>
                  <atom elementType="O"
                        id="a7"
                        x3="3.7628"
                        y3="1.1068"
                        z3="-1.2189"/>
                  <atom elementType="W"
                        id="a8"
                        x3="-1.5602"
                        y3="-2.5813"
                        z3="-0.8485"/>
                  <atom elementType="W"
                        id="a9"
                        x3="-2.8432"
                        y3="0.4213"
                        z3="-1.8519"/>
                  <atom elementType="O"
                        id="a10"
                        x3="-2.9144"
                        y3="-1.5236"
                        z3="-1.7173"/>
                  <atom elementType="W"
                        id="a11"
                        x3="2.3575"
                        y3="-0.1571"
                        z3="2.5295"/>
                  <atom elementType="O"
                        id="a12"
                        x3="-0.1355"
                        y3="-2.5069"
                        z3="-1.8245"/>
                  <atom elementType="O"
                        id="a13"
                        x3="0.3724"
                        y3="-0.2559"
                        z3="1.5658"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-1.4243"
                        y3="-0.2575"
                        z3="-0.2282"/>
                  <atom elementType="O"
                        id="a15"
                        x3="0.7292"
                        y3="1.0451"
                        z3="-0.6367"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-0.9402"
                        y3="1.8434"
                        z3="1.1844"/>
                  <atom elementType="Si"
                        id="a17"
                        x3="-0.2860"
                        y3="0.5763"
                        z3="0.4416"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-2.2322"
                        y3="-4.1537"
                        z3="-1.1316"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-4.2484"
                        y3="0.9821"
                        z3="-1.0195"/>
                  <atom elementType="O"
                        id="a20"
                        x3="2.4673"
                        y3="1.4030"
                        z3="1.3843"/>
                  <atom elementType="O"
                        id="a21"
                        x3="1.6345"
                        y3="3.0794"
                        z3="-1.7580"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-0.3599"
                        y3="3.6465"
                        z3="-3.6531"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-1.6168"
                        y3="1.9484"
                        z3="-1.7507"/>
                  <atom elementType="O"
                        id="a24"
                        x3="-1.3132"
                        y3="-1.4893"
                        z3="3.6558"/>
                  <atom elementType="O"
                        id="a25"
                        x3="2.3032"
                        y3="0.5921"
                        z3="4.0867"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.9835"
                        y3="-2.7583"
                        z3="0.9731"/>
                  <atom elementType="O"
                        id="a27"
                        x3="3.6303"
                        y3="3.5499"
                        z3="0.0761"/>
                  <atom elementType="O"
                        id="a28"
                        x3="-0.2672"
                        y3="-4.0293"
                        z3="3.4280"/>
                  <atom elementType="O"
                        id="a29"
                        x3="3.9675"
                        y3="-0.7569"
                        z3="2.3097"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a26" order="S"/>
                  <bond atomRefs2="a1 a28" order="S"/>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a3 a21" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a23" order="S"/>
                  <bond atomRefs2="a3 a22" order="S"/>
                  <bond atomRefs2="a5 a9" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a6 a27" order="S"/>
                  <bond atomRefs2="a6 a20" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a26" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a9 a19" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a9 a14" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a11 a25" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
               </bondArray>
               <formula concise="O22SiTaW5"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1480.2201999999986</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-3;;;;;;;;;;;;;;;;;;;;;;3*+1/rO22SiTaW5/c1-23-14-27(8,9)17-24(2,3)18-28(10,11,15-23)22-29(12,13,16-23)21-26(6,7)19-25(4,5)20-27">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;8;6;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1-1,2-1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1OOOO1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s9;s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.2366,-2.4557,2.7006;1.5666,-1.9333,2.953;.0762,2.3462,-2.5915;.5149,1.0305,-3.6258;-3.2056,.515,-3.5451;2.6901,2.1597,-.3666;3.7628,1.1068,-1.2189;-1.5602,-2.5813,-.8485;-2.8432,.4213,-1.8519;-2.9144,-1.5236,-1.7173;2.3575,-.1571,2.5295;-.1355,-2.5069,-1.8245;.3724,-.2559,1.5658;-1.4243,-.2575,-.2282;.7292,1.0451,-.6367;-.9402,1.8434,1.1844;-.286,.5763,.4416;-2.2322,-4.1537,-1.1316;-4.2484,.9821,-1.0195;2.4673,1.403,1.3843;1.6345,3.0794,-1.758;-.3599,3.6465,-3.6531;-1.6168,1.9484,-1.7507;-1.3132,-1.4893,3.6558;2.3032,.5921,4.0867;-.9835,-2.7583,.9731;3.6303,3.5499,.0761;-.2672,-4.0293,3.428;3.9675,-.7569,2.3097;/R:/0/N:16,4,22,12,18,24,28,5,19,7,27,25,29,14,15,13,23,21,26,10,2,20,17,3,8,1,9,6,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,24.4</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="3990" startLine="3988">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="3994" startLine="3992">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="4003" startLine="3996">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="solvation" dictRef="cc:userDefinedModule">
                  <list id="cosmo">
                     <scalar dataType="xsd:integer" dictRef="a:ndiv">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:nfdiv">1</scalar>
                     <scalar dataType="xsd:double" dictRef="a:rsol" units="nonsi:angstrom">1.93000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:epsl">78.39000</scalar>
                     <scalar dataType="xsd:string" dictRef="a:cosmomethod">conjugate-gradient</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ncix">1000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ccnv">1.0E-08</scalar>
                     <scalar dataType="xsd:double" dictRef="a:gdsf">0.00000</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="fragment.files" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="W" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.W</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Apr16-2024 02:11:10</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Tungsten</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">4d</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="O" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.O</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Apr16-2024 02:11:09</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">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="Ta" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.Ta</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Apr16-2024 02:11:07</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="Si" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.Si</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Apr16-2024 02:11:05</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Silicon</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">1s</scalar>
                        </atom>
                     </list>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">1</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">1</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.58585768</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.18876759</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">0.06560732</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">0.18876759</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06560732</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.14349558</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">0.05306403</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.208107"
                                 y3="-2.476093"
                                 z3="2.713689"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.604308"
                                 y3="-1.973515"
                                 z3="2.958361"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.092723"
                                 y3="2.335049"
                                 z3="-2.622949"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.572734"
                                 y3="0.96897"
                                 z3="-3.710112"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.173253"
                                 y3="0.444806"
                                 z3="-3.624373"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.673724"
                                 y3="2.160545"
                                 z3="-0.360034"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.786362"
                                 y3="1.109307"
                                 z3="-1.206345"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.576033"
                                 y3="-2.545291"
                                 z3="-0.812785"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.845909"
                                 y3="0.423155"
                                 z3="-1.895346"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.923831"
                                 y3="-1.533381"
                                 z3="-1.735829"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.367948"
                                 y3="-0.179882"
                                 z3="2.517522"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.142622"
                                 y3="-2.513174"
                                 z3="-1.795677"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.377477"
                                 y3="-0.257787"
                                 z3="1.660924"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.519473"
                                 y3="-0.233617"
                                 z3="-0.2157"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.725005"
                                 y3="1.103317"
                                 z3="-0.623893"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.051856"
                                 y3="1.986896"
                                 z3="1.294461"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.37283"
                                 y3="0.711492"
                                 z3="0.539232"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.253886"
                                 y3="-4.141891"
                                 z3="-1.078098"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.31126"
                                 y3="0.988946"
                                 z3="-1.124037"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.472926"
                                 y3="1.390446"
                                 z3="1.397429"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.684649"
                                 y3="3.102705"
                                 z3="-1.753476"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.337789"
                                 y3="3.702708"
                                 z3="-3.756246"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.66543"
                                 y3="1.937951"
                                 z3="-1.824871"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.274072"
                                 y3="-1.575289"
                                 z3="3.758233"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.387136"
                                 y3="0.540683"
                                 z3="4.109829"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.982333"
                                 y3="-2.749165"
                                 z3="0.999897"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.627711"
                                 y3="3.562121"
                                 z3="0.128047"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.205898"
                                 y3="-4.097457"
                                 z3="3.377354"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.977177"
                                 y3="-0.805653"
                                 z3="2.205494"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-3;;;;;;;;;;;;;;;;;;;;;;3*+1/rO22SiTaW5/c1-23-14-27(8,9)17-24(2,3)18-28(10,11,15-23)22-29(12,13,16-23)21-26(6,7)19-25(4,5)20-27">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;8;6;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1-1,2-1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1OOOO1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s9;s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.2081,-2.4761,2.7137;1.6043,-1.9735,2.9584;.0927,2.335,-2.6229;.5727,.969,-3.7101;-3.1733,.4448,-3.6244;2.6737,2.1605,-.36;3.7864,1.1093,-1.2063;-1.576,-2.5453,-.8128;-2.8459,.4232,-1.8953;-2.9238,-1.5334,-1.7358;2.3679,-.1799,2.5175;-.1426,-2.5132,-1.7957;.3775,-.2578,1.6609;-1.5195,-.2336,-.2157;.725,1.1033,-.6239;-1.0519,1.9869,1.2945;-.3728,.7115,.5392;-2.2539,-4.1419,-1.0781;-4.3113,.9889,-1.124;2.4729,1.3904,1.3974;1.6846,3.1027,-1.7535;-.3378,3.7027,-3.7562;-1.6654,1.938,-1.8249;-1.2741,-1.5753,3.7582;2.3871,.5407,4.1098;-.9823,-2.7492,.9999;3.6277,3.5621,.128;-.2059,-4.0975,3.3774;3.9772,-.8057,2.2055;/R:/0/N:16,4,22,12,18,24,28,5,19,7,27,25,29,14,15,13,23,21,26,10,2,20,17,3,8,1,9,6,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,24.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">2</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">2</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.65654568</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07857617</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">0.02376514</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">0.07857617</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02376514</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04948632</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">0.01764878</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.205292"
                                 y3="-2.465435"
                                 z3="2.708831"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.606387"
                                 y3="-1.979175"
                                 z3="2.972438"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.104549"
                                 y3="2.324959"
                                 z3="-2.632486"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.584835"
                                 y3="0.978463"
                                 z3="-3.736495"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.165302"
                                 y3="0.404964"
                                 z3="-3.617652"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.662302"
                                 y3="2.157588"
                                 z3="-0.367652"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.797432"
                                 y3="1.118964"
                                 z3="-1.198467"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.569671"
                                 y3="-2.526626"
                                 z3="-0.803611"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.834484"
                                 y3="0.423725"
                                 z3="-1.88769"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.916654"
                                 y3="-1.544376"
                                 z3="-1.74809"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.348809"
                                 y3="-0.178926"
                                 z3="2.49437"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.143667"
                                 y3="-2.532312"
                                 z3="-1.796006"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.392688"
                                 y3="-0.274394"
                                 z3="1.664803"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.527211"
                                 y3="-0.237528"
                                 z3="-0.223227"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.739865"
                                 y3="1.125658"
                                 z3="-0.625119"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.065627"
                                 y3="1.996134"
                                 z3="1.322676"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.387795"
                                 y3="0.755806"
                                 z3="0.563706"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.273981"
                                 y3="-4.117729"
                                 z3="-1.032009"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.308785"
                                 y3="0.981172"
                                 z3="-1.128166"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.464899"
                                 y3="1.386704"
                                 z3="1.392581"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.725708"
                                 y3="3.108586"
                                 z3="-1.767221"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.326394"
                                 y3="3.715358"
                                 z3="-3.739486"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.68018"
                                 y3="1.922901"
                                 z3="-1.846738"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.275183"
                                 y3="-1.592243"
                                 z3="3.773914"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.39189"
                                 y3="0.540873"
                                 z3="4.087057"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.983044"
                                 y3="-2.740741"
                                 z3="1.007512"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.594833"
                                 y3="3.555509"
                                 z3="0.173827"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.191544"
                                 y3="-4.094393"
                                 z3="3.353094"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.945915"
                                 y3="-0.826587"
                                 z3="2.156007"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-3;;;;;;;;;;;;;;;;;;;;;;3*+1/rO22SiTaW5/c1-23-14-27(8,9)17-24(2,3)18-28(10,11,15-23)22-29(12,13,16-23)21-26(6,7)19-25(4,5)20-27">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;8;6;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1-1,2-1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1OOOO1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s9;s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.2053,-2.4654,2.7088;1.6064,-1.9792,2.9724;.1045,2.325,-2.6325;.5848,.9785,-3.7365;-3.1653,.405,-3.6177;2.6623,2.1576,-.3677;3.7974,1.119,-1.1985;-1.5697,-2.5266,-.8036;-2.8345,.4237,-1.8877;-2.9167,-1.5444,-1.7481;2.3488,-.1789,2.4944;-.1437,-2.5323,-1.796;.3927,-.2744,1.6648;-1.5272,-.2375,-.2232;.7399,1.1257,-.6251;-1.0656,1.9961,1.3227;-.3878,.7558,.5637;-2.274,-4.1177,-1.032;-4.3088,.9812,-1.1282;2.4649,1.3867,1.3926;1.7257,3.1086,-1.7672;-.3264,3.7154,-3.7395;-1.6802,1.9229,-1.8467;-1.2752,-1.5922,3.7739;2.3919,.5409,4.0871;-.983,-2.7407,1.0075;3.5948,3.5555,.1738;-.1915,-4.0944,3.3531;3.9459,-.8266,2.156;/R:/0/N:16,4,22,12,18,24,28,5,19,7,27,25,29,14,15,13,23,21,26,10,2,20,17,3,8,1,9,6,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,24.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">3</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">3</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.67035496</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04333900</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">0.01368796</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">0.04333900</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01368796</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07337397</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">0.03109943</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.209081"
                                 y3="-2.43309"
                                 z3="2.706336"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.59613"
                                 y3="-1.977059"
                                 z3="3.028281"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.120425"
                                 y3="2.320798"
                                 z3="-2.636814"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.584448"
                                 y3="1.024897"
                                 z3="-3.785445"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.176983"
                                 y3="0.365732"
                                 z3="-3.58034"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.647369"
                                 y3="2.1615"
                                 z3="-0.390838"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.828925"
                                 y3="1.149764"
                                 z3="-1.195315"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.55618"
                                 y3="-2.510919"
                                 z3="-0.807977"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.811836"
                                 y3="0.422277"
                                 z3="-1.855086"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.901042"
                                 y3="-1.567616"
                                 z3="-1.775112"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.31063"
                                 y3="-0.174123"
                                 z3="2.465659"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.141949"
                                 y3="-2.586979"
                                 z3="-1.820465"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.437652"
                                 y3="-0.326338"
                                 z3="1.63318"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.500274"
                                 y3="-0.272277"
                                 z3="-0.261971"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.778394"
                                 y3="1.154805"
                                 z3="-0.640554"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.053104"
                                 y3="1.950603"
                                 z3="1.323779"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.37297"
                                 y3="0.763272"
                                 z3="0.560155"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.312271"
                                 y3="-4.088208"
                                 z3="-0.962192"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.283922"
                                 y3="0.963133"
                                 z3="-1.074568"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.449151"
                                 y3="1.378818"
                                 z3="1.378262"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.793813"
                                 y3="3.120075"
                                 z3="-1.808103"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.335738"
                                 y3="3.746743"
                                 z3="-3.6667"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.687892"
                                 y3="1.90371"
                                 z3="-1.851365"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.297762"
                                 y3="-1.5657"
                                 z3="3.763764"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.368309"
                                 y3="0.565336"
                                 z3="4.053077"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.985859"
                                 y3="-2.723369"
                                 z3="1.013427"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.531377"
                                 y3="3.552841"
                                 z3="0.247201"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.205623"
                                 y3="-4.065372"
                                 z3="3.345144"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.891164"
                                 y3="-0.866354"
                                 z3="2.115282"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;2*+1/rO22SiTaW5/c1-23-14-26(6,7)16-24(2,3)17-28(10,11)21-29(12,13,22(23)28)19-25(4,5)18-27(8,9,15-23)20-26">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;8;9;6;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1-1,2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1OO3OO1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8s9;s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.2091,-2.4331,2.7063;1.5961,-1.9771,3.0283;.1204,2.3208,-2.6368;.5844,1.0249,-3.7854;-3.177,.3657,-3.5803;2.6474,2.1615,-.3908;3.8289,1.1498,-1.1953;-1.5562,-2.5109,-.808;-2.8118,.4223,-1.8551;-2.901,-1.5676,-1.7751;2.3106,-.1741,2.4657;-.1419,-2.587,-1.8205;.4377,-.3263,1.6332;-1.5003,-.2723,-.262;.7784,1.1548,-.6406;-1.0531,1.9506,1.3238;-.373,.7633,.5602;-2.3123,-4.0882,-.9622;-4.2839,.9631,-1.0746;2.4492,1.3788,1.3783;1.7938,3.1201,-1.8081;-.3357,3.7467,-3.6667;-1.6879,1.9037,-1.8514;-1.2978,-1.5657,3.7638;2.3683,.5653,4.0531;-.9859,-2.7234,1.0134;3.5314,3.5528,.2472;-.2056,-4.0654,3.3451;3.8912,-.8664,2.1153;/R:/0/N:16,4,22,24,28,7,27,25,29,5,19,12,18,15,13,21,23,2,26,20,10,14,17,3,1,6,11,9,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,22.3,24.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">4</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">4</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.68070268</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03244368</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">0.00812525</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">0.03244368</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00812525</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06132479</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">0.02348619</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.216897"
                                 y3="-2.404259"
                                 z3="2.708827"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.580092"
                                 y3="-1.969182"
                                 z3="3.080736"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.125837"
                                 y3="2.326541"
                                 z3="-2.630647"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.566568"
                                 y3="1.060756"
                                 z3="-3.813319"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.195942"
                                 y3="0.372032"
                                 z3="-3.548016"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.642895"
                                 y3="2.162051"
                                 z3="-0.409149"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.845651"
                                 y3="1.158748"
                                 z3="-1.193906"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.538949"
                                 y3="-2.508799"
                                 z3="-0.822617"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.800197"
                                 y3="0.416916"
                                 z3="-1.829493"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.884421"
                                 y3="-1.584614"
                                 z3="-1.796956"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.290508"
                                 y3="-0.17285"
                                 z3="2.459155"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.126933"
                                 y3="-2.617574"
                                 z3="-1.839695"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.466632"
                                 y3="-0.366813"
                                 z3="1.593803"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.465067"
                                 y3="-0.304317"
                                 z3="-0.298087"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.793452"
                                 y3="1.170781"
                                 z3="-0.649768"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.048938"
                                 y3="1.905499"
                                 z3="1.321249"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.35492"
                                 y3="0.736444"
                                 z3="0.54105"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.313166"
                                 y3="-4.080911"
                                 z3="-0.937721"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.258668"
                                 y3="0.941734"
                                 z3="-1.013243"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.443659"
                                 y3="1.369484"
                                 z3="1.368325"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.829827"
                                 y3="3.118583"
                                 z3="-1.843263"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.359038"
                                 y3="3.767351"
                                 z3="-3.606794"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.681491"
                                 y3="1.901627"
                                 z3="-1.83438"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.317654"
                                 y3="-1.514281"
                                 z3="3.736375"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.34513"
                                 y3="0.582525"
                                 z3="4.041659"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.982678"
                                 y3="-2.70623"
                                 z3="1.010424"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.501948"
                                 y3="3.552589"
                                 z3="0.26247"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.242127"
                                 y3="-4.034226"
                                 z3="3.354019"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.860184"
                                 y3="-0.892706"
                                 z3="2.109664"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;2*+1/rO22SiTaW5/c1-23-14-26(6,7)16-24(2,3)17-28(10,11)21-29(12,13,22(23)28)19-25(4,5)18-27(8,9,15-23)20-26">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;8;9;6;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1-1,2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1OO3OO1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8s9;s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.2169,-2.4043,2.7088;1.5801,-1.9692,3.0807;.1258,2.3265,-2.6306;.5666,1.0608,-3.8133;-3.1959,.372,-3.548;2.6429,2.1621,-.4091;3.8457,1.1587,-1.1939;-1.5389,-2.5088,-.8226;-2.8002,.4169,-1.8295;-2.8844,-1.5846,-1.797;2.2905,-.1729,2.4592;-.1269,-2.6176,-1.8397;.4666,-.3668,1.5938;-1.4651,-.3043,-.2981;.7935,1.1708,-.6498;-1.0489,1.9055,1.3212;-.3549,.7364,.5411;-2.3132,-4.0809,-.9377;-4.2587,.9417,-1.0132;2.4437,1.3695,1.3683;1.8298,3.1186,-1.8433;-.359,3.7674,-3.6068;-1.6815,1.9016,-1.8344;-1.3177,-1.5143,3.7364;2.3451,.5825,4.0417;-.9827,-2.7062,1.0104;3.5019,3.5526,.2625;-.2421,-4.0342,3.354;3.8602,-.8927,2.1097;/R:/0/N:16,4,22,24,28,7,27,25,29,5,19,12,18,15,13,21,23,2,26,20,10,14,17,3,1,6,11,9,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,22.3,24.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">5</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">5</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.68396478</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02565576</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">0.00710392</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">0.02565576</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00710392</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10425925</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">0.03788353</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.232082"
                                 y3="-2.352635"
                                 z3="2.709249"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.546744"
                                 y3="-1.946146"
                                 z3="3.156151"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.125583"
                                 y3="2.338309"
                                 z3="-2.609552"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.519771"
                                 y3="1.101525"
                                 z3="-3.843199"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.237816"
                                 y3="0.418921"
                                 z3="-3.502522"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.642566"
                                 y3="2.154877"
                                 z3="-0.430652"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.860334"
                                 y3="1.144201"
                                 z3="-1.181609"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.505551"
                                 y3="-2.509154"
                                 z3="-0.850637"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.79296"
                                 y3="0.40373"
                                 z3="-1.797845"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.854328"
                                 y3="-1.604655"
                                 z3="-1.833874"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.276977"
                                 y3="-0.171679"
                                 z3="2.46368"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.087185"
                                 y3="-2.643343"
                                 z3="-1.859697"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.503091"
                                 y3="-0.428374"
                                 z3="1.514388"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.40319"
                                 y3="-0.346494"
                                 z3="-0.356674"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.790231"
                                 y3="1.193534"
                                 z3="-0.651077"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.053464"
                                 y3="1.817071"
                                 z3="1.33064"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.333983"
                                 y3="0.681868"
                                 z3="0.51124"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.282345"
                                 y3="-4.084055"
                                 z3="-0.937602"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.221864"
                                 y3="0.89487"
                                 z3="-0.914614"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.44788"
                                 y3="1.354079"
                                 z3="1.360367"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.864371"
                                 y3="3.091444"
                                 z3="-1.894533"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.398022"
                                 y3="3.800206"
                                 z3="-3.523579"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.667568"
                                 y3="1.901414"
                                 z3="-1.794468"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.341128"
                                 y3="-1.410022"
                                 z3="3.680483"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.320203"
                                 y3="0.600644"
                                 z3="4.040612"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.972892"
                                 y3="-2.67435"
                                 z3="0.996649"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.480753"
                                 y3="3.555883"
                                 z3="0.240787"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.321193"
                                 y3="-3.9736"
                                 z3="3.375929"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.832367"
                                 y3="-0.921169"
                                 z3="2.122657"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;2*+1/rO22SiTaW5/c1-23-14-26(6,7)16-24(2,3)17-28(10,11)21-29(12,13,22(23)28)19-25(4,5)18-27(8,9,15-23)20-26">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;8;9;6;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1-1,2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1OO3OO1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8s9;s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.2321,-2.3526,2.7092;1.5467,-1.9461,3.1562;.1256,2.3383,-2.6096;.5198,1.1015,-3.8432;-3.2378,.4189,-3.5025;2.6426,2.1549,-.4307;3.8603,1.1442,-1.1816;-1.5056,-2.5092,-.8506;-2.793,.4037,-1.7978;-2.8543,-1.6047,-1.8339;2.277,-.1717,2.4637;-.0872,-2.6433,-1.8597;.5031,-.4284,1.5144;-1.4032,-.3465,-.3567;.7902,1.1935,-.6511;-1.0535,1.8171,1.3306;-.334,.6819,.5112;-2.2823,-4.0841,-.9376;-4.2219,.8949,-.9146;2.4479,1.3541,1.3604;1.8644,3.0914,-1.8945;-.398,3.8002,-3.5236;-1.6676,1.9014,-1.7945;-1.3411,-1.41,3.6805;2.3202,.6006,4.0406;-.9729,-2.6744,.9966;3.4808,3.5559,.2408;-.3212,-3.9736,3.3759;3.8324,-.9212,2.1227;/R:/0/N:16,4,22,24,28,7,27,25,29,5,19,12,18,15,13,21,23,2,26,20,10,14,17,3,1,6,11,9,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,22.3,24.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">6</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">6</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.68725236</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01190536</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">0.00364626</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">0.01190536</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00364626</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06325171</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">0.02121761</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.240564"
                                 y3="-2.321264"
                                 z3="2.703134"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.528032"
                                 y3="-1.928365"
                                 z3="3.186391"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.122542"
                                 y3="2.342471"
                                 z3="-2.59483"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.490137"
                                 y3="1.114908"
                                 z3="-3.849227"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.268137"
                                 y3="0.44666"
                                 z3="-3.483337"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.644001"
                                 y3="2.150765"
                                 z3="-0.437719"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.868316"
                                 y3="1.134591"
                                 z3="-1.168771"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.489773"
                                 y3="-2.510195"
                                 z3="-0.865191"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.793615"
                                 y3="0.395093"
                                 z3="-1.787898"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.838901"
                                 y3="-1.611082"
                                 z3="-1.857067"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.278588"
                                 y3="-0.170869"
                                 z3="2.466167"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.065151"
                                 y3="-2.654306"
                                 z3="-1.864729"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.527739"
                                 y3="-0.466325"
                                 z3="1.464887"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.370719"
                                 y3="-0.364536"
                                 z3="-0.389503"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.781471"
                                 y3="1.212014"
                                 z3="-0.644321"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.05945"
                                 y3="1.760012"
                                 z3="1.356575"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.32659"
                                 y3="0.654629"
                                 z3="0.504084"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.265493"
                                 y3="-4.087403"
                                 z3="-0.948712"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.206709"
                                 y3="0.8636"
                                 z3="-0.868548"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.454568"
                                 y3="1.34749"
                                 z3="1.357898"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.878025"
                                 y3="3.066196"
                                 z3="-1.920784"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.408399"
                                 y3="3.818926"
                                 z3="-3.484683"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.664673"
                                 y3="1.896982"
                                 z3="-1.774938"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.349286"
                                 y3="-1.34677"
                                 z3="3.642464"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.318181"
                                 y3="0.609974"
                                 z3="4.038986"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.971631"
                                 y3="-2.661644"
                                 z3="0.986005"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.472565"
                                 y3="3.559296"
                                 z3="0.226704"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.367854"
                                 y3="-3.931829"
                                 z3="3.391924"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.828077"
                                 y3="-0.932118"
                                 z3="2.135739"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)18-29(12,13)20-28(10,11,22(23)29)16-24(2,3)15-27(8,9,19-26)21(23)24">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1-1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1OO3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.2406,-2.3213,2.7031;1.528,-1.9284,3.1864;.1225,2.3425,-2.5948;.4901,1.1149,-3.8492;-3.2681,.4467,-3.4833;2.644,2.1508,-.4377;3.8683,1.1346,-1.1688;-1.4898,-2.5102,-.8652;-2.7936,.3951,-1.7879;-2.8389,-1.6111,-1.8571;2.2786,-.1709,2.4662;-.0652,-2.6543,-1.8647;.5277,-.4663,1.4649;-1.3707,-.3645,-.3895;.7815,1.212,-.6443;-1.0595,1.76,1.3566;-.3266,.6546,.5041;-2.2655,-4.0874,-.9487;-4.2067,.8636,-.8685;2.4546,1.3475,1.3579;1.878,3.0662,-1.9208;-.4084,3.8189,-3.4847;-1.6647,1.897,-1.7749;-1.3493,-1.3468,3.6425;2.3182,.61,4.039;-.9716,-2.6616,.986;3.4726,3.5593,.2267;-.3679,-3.9318,3.3919;3.8281,-.9321,2.1357;/R:/0/N:16,4,22,24,28,25,29,7,27,5,19,12,18,13,21,23,2,26,20,10,15,14,17,3,1,11,6,9,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">7</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">7</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.68821557</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01006984</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">0.00365860</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">0.01006984</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00365860</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07385409</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">0.02572881</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.248198"
                                 y3="-2.285259"
                                 z3="2.685517"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.51208"
                                 y3="-1.903897"
                                 z3="3.203496"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.116341"
                                 y3="2.343118"
                                 z3="-2.5771"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.452148"
                                 y3="1.117504"
                                 z3="-3.84365"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.316612"
                                 y3="0.475928"
                                 z3="-3.473025"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.648258"
                                 y3="2.151297"
                                 z3="-0.436195"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.88715"
                                 y3="1.13464"
                                 z3="-1.141187"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.483727"
                                 y3="-2.516256"
                                 z3="-0.878172"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.801055"
                                 y3="0.385306"
                                 z3="-1.790135"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.826809"
                                 y3="-1.610307"
                                 z3="-1.88679"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.294596"
                                 y3="-0.17099"
                                 z3="2.470157"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.051124"
                                 y3="-2.675864"
                                 z3="-1.863367"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.566428"
                                 y3="-0.518058"
                                 z3="1.404276"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.337817"
                                 y3="-0.378724"
                                 z3="-0.430196"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.768678"
                                 y3="1.247503"
                                 z3="-0.629623"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.065002"
                                 y3="1.686157"
                                 z3="1.402808"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.319037"
                                 y3="0.627372"
                                 z3="0.508391"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.267619"
                                 y3="-4.090851"
                                 z3="-0.970147"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.197349"
                                 y3="0.825339"
                                 z3="-0.830471"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.464723"
                                 y3="1.344248"
                                 z3="1.359194"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.894613"
                                 y3="3.024385"
                                 z3="-1.948394"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.398849"
                                 y3="3.841673"
                                 z3="-3.449518"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.673344"
                                 y3="1.887381"
                                 z3="-1.762484"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.353257"
                                 y3="-1.273345"
                                 z3="3.586709"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.334785"
                                 y3="0.621169"
                                 z3="4.036437"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.983339"
                                 y3="-2.667733"
                                 z3="0.972448"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.456106"
                                 y3="3.574085"
                                 z3="0.221611"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.411449"
                                 y3="-3.873772"
                                 z3="3.420974"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.843979"
                                 y3="-0.935147"
                                 z3="2.159137"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)18-29(12,13)20-28(10,11,22(23)29)16-24(2,3)15-27(8,9,19-26)21(23)24">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1-1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1OO3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.2482,-2.2853,2.6855;1.5121,-1.9039,3.2035;.1163,2.3431,-2.5771;.4521,1.1175,-3.8436;-3.3166,.4759,-3.473;2.6483,2.1513,-.4362;3.8872,1.1346,-1.1412;-1.4837,-2.5163,-.8782;-2.8011,.3853,-1.7901;-2.8268,-1.6103,-1.8868;2.2946,-.171,2.4702;-.0511,-2.6759,-1.8634;.5664,-.5181,1.4043;-1.3378,-.3787,-.4302;.7687,1.2475,-.6296;-1.065,1.6862,1.4028;-.319,.6274,.5084;-2.2676,-4.0909,-.9701;-4.1973,.8253,-.8305;2.4647,1.3442,1.3592;1.8946,3.0244,-1.9484;-.3988,3.8417,-3.4495;-1.6733,1.8874,-1.7625;-1.3533,-1.2733,3.5867;2.3348,.6212,4.0364;-.9833,-2.6677,.9724;3.4561,3.5741,.2216;-.4114,-3.8738,3.421;3.844,-.9351,2.1591;/R:/0/N:16,4,22,24,28,25,29,7,27,5,19,12,18,13,21,23,2,26,20,10,15,14,17,3,1,11,6,9,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">8</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">8</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.68937718</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01261580</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">0.00340643</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">0.01261580</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00340643</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06428753</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">0.02332694</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.251333"
                                 y3="-2.257146"
                                 z3="2.664382"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.504488"
                                 y3="-1.878956"
                                 z3="3.215961"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.113853"
                                 y3="2.339103"
                                 z3="-2.567037"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.415663"
                                 y3="1.112382"
                                 z3="-3.840352"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.364162"
                                 y3="0.501171"
                                 z3="-3.465778"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.653716"
                                 y3="2.153317"
                                 z3="-0.430026"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.915711"
                                 y3="1.142182"
                                 z3="-1.103762"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.486948"
                                 y3="-2.524755"
                                 z3="-0.887003"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.808088"
                                 y3="0.381515"
                                 z3="-1.796057"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.818636"
                                 y3="-1.602492"
                                 z3="-1.912183"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.312517"
                                 y3="-0.171034"
                                 z3="2.479026"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.050973"
                                 y3="-2.706439"
                                 z3="-1.862457"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.601662"
                                 y3="-0.56326"
                                 z3="1.354775"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.312508"
                                 y3="-0.388317"
                                 z3="-0.463209"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.756976"
                                 y3="1.285923"
                                 z3="-0.61757"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.064557"
                                 y3="1.62187"
                                 z3="1.442638"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.310644"
                                 y3="0.605517"
                                 z3="0.513986"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.293561"
                                 y3="-4.087878"
                                 z3="-0.988472"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.187265"
                                 y3="0.797684"
                                 z3="-0.800075"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.46628"
                                 y3="1.342776"
                                 z3="1.363158"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.922927"
                                 y3="2.977133"
                                 z3="-1.978366"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.386195"
                                 y3="3.855866"
                                 z3="-3.422252"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.685635"
                                 y3="1.882655"
                                 z3="-1.760703"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.357294"
                                 y3="-1.221661"
                                 z3="3.532931"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.352283"
                                 y3="0.634261"
                                 z3="4.03769"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.000493"
                                 y3="-2.690111"
                                 z3="0.962171"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.426974"
                                 y3="3.595872"
                                 z3="0.226729"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.427722"
                                 y3="-3.826533"
                                 z3="3.439021"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.868263"
                                 y3="-0.923746"
                                 z3="2.183532"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.2513,-2.2571,2.6644;1.5045,-1.879,3.216;.1139,2.3391,-2.567;.4157,1.1124,-3.8404;-3.3642,.5012,-3.4658;2.6537,2.1533,-.43;3.9157,1.1422,-1.1038;-1.4869,-2.5248,-.887;-2.8081,.3815,-1.7961;-2.8186,-1.6025,-1.9122;2.3125,-.171,2.479;-.051,-2.7064,-1.8625;.6017,-.5633,1.3548;-1.3125,-.3883,-.4632;.757,1.2859,-.6176;-1.0646,1.6219,1.4426;-.3106,.6055,.514;-2.2936,-4.0879,-.9885;-4.1873,.7977,-.8001;2.4663,1.3428,1.3632;1.9229,2.9771,-1.9784;-.3862,3.8559,-3.4223;-1.6856,1.8827,-1.7607;-1.3573,-1.2217,3.5329;2.3523,.6343,4.0377;-1.0005,-2.6901,.9622;3.427,3.5959,.2267;-.4277,-3.8265,3.439;3.8683,-.9237,2.1835;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">9</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">9</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69009503</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01269421</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">0.00323176</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">0.01269421</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00323176</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04782452</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">0.01666317</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.241707"
                                 y3="-2.264742"
                                 z3="2.650851"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.518299"
                                 y3="-1.869601"
                                 z3="3.215848"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.119558"
                                 y3="2.324641"
                                 z3="-2.577868"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.397476"
                                 y3="1.090441"
                                 z3="-3.847852"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.385699"
                                 y3="0.511132"
                                 z3="-3.465471"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.658545"
                                 y3="2.152434"
                                 z3="-0.421402"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.94315"
                                 y3="1.145302"
                                 z3="-1.060033"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.502058"
                                 y3="-2.529265"
                                 z3="-0.887693"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.813059"
                                 y3="0.391441"
                                 z3="-1.80073"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.823345"
                                 y3="-1.58936"
                                 z3="-1.916262"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.320042"
                                 y3="-0.163771"
                                 z3="2.498063"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.073118"
                                 y3="-2.728948"
                                 z3="-1.869471"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.603241"
                                 y3="-0.556354"
                                 z3="1.365298"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.314475"
                                 y3="-0.385319"
                                 z3="-0.461046"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.751709"
                                 y3="1.302526"
                                 z3="-0.618176"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.062086"
                                 y3="1.637297"
                                 z3="1.435892"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.312304"
                                 y3="0.610832"
                                 z3="0.513206"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.338438"
                                 y3="-4.0749"
                                 z3="-0.995105"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.183846"
                                 y3="0.808479"
                                 z3="-0.793032"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.449851"
                                 y3="1.35328"
                                 z3="1.375635"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.956242"
                                 y3="2.937328"
                                 z3="-2.003145"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.371449"
                                 y3="3.843562"
                                 z3="-3.429614"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.692147"
                                 y3="1.891426"
                                 z3="-1.774895"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.359588"
                                 y3="-1.258229"
                                 z3="3.53471"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.359023"
                                 y3="0.642472"
                                 z3="4.056127"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.006311"
                                 y3="-2.716321"
                                 z3="0.957799"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.39922"
                                 y3="3.612921"
                                 z3="0.233252"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.379898"
                                 y3="-3.844831"
                                 z3="3.409474"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.888472"
                                 y3="-0.886973"
                                 z3="2.196342"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.2417,-2.2647,2.6509;1.5183,-1.8696,3.2158;.1196,2.3246,-2.5779;.3975,1.0904,-3.8479;-3.3857,.5111,-3.4655;2.6585,2.1524,-.4214;3.9432,1.1453,-1.06;-1.5021,-2.5293,-.8877;-2.8131,.3914,-1.8007;-2.8233,-1.5894,-1.9163;2.32,-.1638,2.4981;-.0731,-2.7289,-1.8695;.6032,-.5564,1.3653;-1.3145,-.3853,-.461;.7517,1.3025,-.6182;-1.0621,1.6373,1.4359;-.3123,.6108,.5132;-2.3384,-4.0749,-.9951;-4.1838,.8085,-.793;2.4499,1.3533,1.3756;1.9562,2.9373,-2.0031;-.3714,3.8436,-3.4296;-1.6921,1.8914,-1.7749;-1.3596,-1.2582,3.5347;2.359,.6425,4.0561;-1.0063,-2.7163,.9578;3.3992,3.6129,.2333;-.3799,-3.8448,3.4095;3.8885,-.887,2.1963;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">10</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">10</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69099562</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00618884</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">0.00204236</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">0.00618884</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00204236</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06360496</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">0.01951735</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.231656"
                                 y3="-2.261124"
                                 z3="2.631347"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.522179"
                                 y3="-1.845657"
                                 z3="3.230239"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.126373"
                                 y3="2.305385"
                                 z3="-2.583628"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.361083"
                                 y3="1.072362"
                                 z3="-3.863409"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.420573"
                                 y3="0.535271"
                                 z3="-3.446629"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.664997"
                                 y3="2.141832"
                                 z3="-0.419541"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.976851"
                                 y3="1.136551"
                                 z3="-1.005454"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.50649"
                                 y3="-2.529453"
                                 z3="-0.898435"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.818084"
                                 y3="0.402537"
                                 z3="-1.793685"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.819261"
                                 y3="-1.57688"
                                 z3="-1.9301"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.320366"
                                 y3="-0.149648"
                                 z3="2.517072"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.085379"
                                 y3="-2.75079"
                                 z3="-1.887201"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.610756"
                                 y3="-0.559918"
                                 z3="1.362123"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.307011"
                                 y3="-0.388446"
                                 z3="-0.465432"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.745765"
                                 y3="1.318857"
                                 z3="-0.61694"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.064522"
                                 y3="1.629719"
                                 z3="1.4386"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.312559"
                                 y3="0.606614"
                                 z3="0.511033"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.3709"
                                 y3="-4.058762"
                                 z3="-1.002495"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.171138"
                                 y3="0.811158"
                                 z3="-0.759302"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.427586"
                                 y3="1.36178"
                                 z3="1.383118"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.999333"
                                 y3="2.873723"
                                 z3="-2.041153"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.352968"
                                 y3="3.83573"
                                 z3="-3.415767"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.694675"
                                 y3="1.900829"
                                 z3="-1.777524"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.371091"
                                 y3="-1.284526"
                                 z3="3.5201"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.35179"
                                 y3="0.668639"
                                 z3="4.069522"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.00304"
                                 y3="-2.730931"
                                 z3="0.944903"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.364554"
                                 y3="3.625327"
                                 z3="0.22674"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.335528"
                                 y3="-3.8510"
                                 z3="3.373202"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.898546"
                                 y3="-0.852277"
                                 z3="2.219394"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.2317,-2.2611,2.6313;1.5222,-1.8457,3.2302;.1264,2.3054,-2.5836;.3611,1.0724,-3.8634;-3.4206,.5353,-3.4466;2.665,2.1418,-.4195;3.9769,1.1366,-1.0055;-1.5065,-2.5295,-.8984;-2.8181,.4025,-1.7937;-2.8193,-1.5769,-1.9301;2.3204,-.1496,2.5171;-.0854,-2.7508,-1.8872;.6108,-.5599,1.3621;-1.307,-.3884,-.4654;.7458,1.3189,-.6169;-1.0645,1.6297,1.4386;-.3126,.6066,.511;-2.3709,-4.0588,-1.0025;-4.1711,.8112,-.7593;2.4276,1.3618,1.3831;1.9993,2.8737,-2.0412;-.353,3.8357,-3.4158;-1.6947,1.9008,-1.7775;-1.3711,-1.2845,3.5201;2.3518,.6686,4.0695;-1.003,-2.7309,.9449;3.3646,3.6253,.2267;-.3355,-3.851,3.3732;3.8985,-.8523,2.2194;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">11</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">11</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69137552</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00650860</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">0.00191035</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">0.00650860</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00191035</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09421172</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">0.02542565</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.217569"
                                 y3="-2.254741"
                                 z3="2.604702"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.52058"
                                 y3="-1.810798"
                                 z3="3.247989"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.130843"
                                 y3="2.277954"
                                 z3="-2.585607"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.306622"
                                 y3="1.048839"
                                 z3="-3.879434"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.469926"
                                 y3="0.571608"
                                 z3="-3.418838"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.674164"
                                 y3="2.120113"
                                 z3="-0.421297"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.014198"
                                 y3="1.11343"
                                 z3="-0.939366"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.505904"
                                 y3="-2.522721"
                                 z3="-0.917956"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.828937"
                                 y3="0.417112"
                                 z3="-1.783014"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.812173"
                                 y3="-1.559808"
                                 z3="-1.951372"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.317103"
                                 y3="-0.126627"
                                 z3="2.538552"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.091773"
                                 y3="-2.761129"
                                 z3="-1.913039"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.621546"
                                 y3="-0.566115"
                                 z3="1.355666"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.300138"
                                 y3="-0.389147"
                                 z3="-0.470365"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.73776"
                                 y3="1.331753"
                                 z3="-0.612157"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.069469"
                                 y3="1.607628"
                                 z3="1.45452"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.314556"
                                 y3="0.598715"
                                 z3="0.51388"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.388635"
                                 y3="-4.041725"
                                 z3="-1.013216"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.159592"
                                 y3="0.81096"
                                 z3="-0.715328"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.40014"
                                 y3="1.373872"
                                 z3="1.388995"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.039635"
                                 y3="2.779511"
                                 z3="-2.082522"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.313493"
                                 y3="3.830858"
                                 z3="-3.393373"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.697739"
                                 y3="1.91031"
                                 z3="-1.773841"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.386963"
                                 y3="-1.317354"
                                 z3="3.496451"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.333651"
                                 y3="0.711618"
                                 z3="4.081011"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.990178"
                                 y3="-2.734324"
                                 z3="0.921235"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.331638"
                                 y3="3.632391"
                                 z3="0.200308"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.281764"
                                 y3="-3.854571"
                                 z3="3.329826"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.90623"
                                 y3="-0.810713"
                                 z3="2.258288"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.2176,-2.2547,2.6047;1.5206,-1.8108,3.248;.1308,2.278,-2.5856;.3066,1.0488,-3.8794;-3.4699,.5716,-3.4188;2.6742,2.1201,-.4213;4.0142,1.1134,-.9394;-1.5059,-2.5227,-.918;-2.8289,.4171,-1.783;-2.8122,-1.5598,-1.9514;2.3171,-.1266,2.5386;-.0918,-2.7611,-1.913;.6215,-.5661,1.3557;-1.3001,-.3891,-.4704;.7378,1.3318,-.6122;-1.0695,1.6076,1.4545;-.3146,.5987,.5139;-2.3886,-4.0417,-1.0132;-4.1596,.811,-.7153;2.4001,1.3739,1.389;2.0396,2.7795,-2.0825;-.3135,3.8309,-3.3934;-1.6977,1.9103,-1.7738;-1.387,-1.3174,3.4965;2.3337,.7116,4.081;-.9902,-2.7343,.9212;3.3316,3.6324,.2003;-.2818,-3.8546,3.3298;3.9062,-.8107,2.2583;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">12</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">12</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69167901</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00652545</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">0.00195432</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">0.00652545</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00195432</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.16261041</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">0.04248945</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.185929"
                                 y3="-2.258056"
                                 z3="2.568716"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.520118"
                                 y3="-1.761046"
                                 z3="3.275318"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.137872"
                                 y3="2.226014"
                                 z3="-2.591517"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.22476"
                                 y3="1.002174"
                                 z3="-3.900751"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.537493"
                                 y3="0.629216"
                                 z3="-3.377864"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.686688"
                                 y3="2.075239"
                                 z3="-0.427649"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.057934"
                                 y3="1.06103"
                                 z3="-0.84283"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.501868"
                                 y3="-2.498342"
                                 z3="-0.949915"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.847731"
                                 y3="0.446043"
                                 z3="-1.766536"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.803682"
                                 y3="-1.527538"
                                 z3="-1.980298"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.300423"
                                 y3="-0.080633"
                                 z3="2.57258"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.097663"
                                 y3="-2.745557"
                                 z3="-1.956877"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.621241"
                                 y3="-0.554925"
                                 z3="1.368168"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.305752"
                                 y3="-0.380477"
                                 z3="-0.462064"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.723295"
                                 y3="1.333228"
                                 z3="-0.602138"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.086211"
                                 y3="1.593664"
                                 z3="1.478175"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.329079"
                                 y3="0.598209"
                                 z3="0.526643"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.39272"
                                 y3="-4.013908"
                                 z3="-1.027429"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.149379"
                                 y3="0.824121"
                                 z3="-0.659713"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.350675"
                                 y3="1.40181"
                                 z3="1.397307"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.084857"
                                 y3="2.6169"
                                 z3="-2.136343"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.236774"
                                 y3="3.812021"
                                 z3="-3.370598"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.697718"
                                 y3="1.926246"
                                 z3="-1.767875"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.40489"
                                 y3="-1.409358"
                                 z3="3.483591"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.291869"
                                 y3="0.783968"
                                 z3="4.100783"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.953443"
                                 y3="-2.716871"
                                 z3="0.879709"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.303463"
                                 y3="3.625607"
                                 z3="0.138349"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.173303"
                                 y3="-3.885343"
                                 z3="3.236312"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.90574"
                                 y3="-0.736538"
                                 z3="2.315445"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.1859,-2.2581,2.5687;1.5201,-1.761,3.2753;.1379,2.226,-2.5915;.2248,1.0022,-3.9008;-3.5375,.6292,-3.3779;2.6867,2.0752,-.4276;4.0579,1.061,-.8428;-1.5019,-2.4983,-.9499;-2.8477,.446,-1.7665;-2.8037,-1.5275,-1.9803;2.3004,-.0806,2.5726;-.0977,-2.7456,-1.9569;.6212,-.5549,1.3682;-1.3058,-.3805,-.4621;.7233,1.3332,-.6021;-1.0862,1.5937,1.4782;-.3291,.5982,.5266;-2.3927,-4.0139,-1.0274;-4.1494,.8241,-.6597;2.3507,1.4018,1.3973;2.0849,2.6169,-2.1363;-.2368,3.812,-3.3706;-1.6977,1.9262,-1.7679;-1.4049,-1.4094,3.4836;2.2919,.784,4.1008;-.9534,-2.7169,.8797;3.3035,3.6256,.1383;-.1733,-3.8853,3.2363;3.9057,-.7365,2.3154;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">13</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">13</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69202896</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00972343</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">0.00260293</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">0.00972343</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00260293</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06032252</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">0.01694003</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.17041"
                                 y3="-2.264218"
                                 z3="2.559048"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.519154"
                                 y3="-1.744988"
                                 z3="3.289115"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.141452"
                                 y3="2.20523"
                                 z3="-2.592445"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.198657"
                                 y3="0.984023"
                                 z3="-3.906155"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.557012"
                                 y3="0.650609"
                                 z3="-3.368049"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.687217"
                                 y3="2.057647"
                                 z3="-0.43137"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.062833"
                                 y3="1.037349"
                                 z3="-0.815495"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.500039"
                                 y3="-2.484182"
                                 z3="-0.959953"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.853877"
                                 y3="0.457337"
                                 z3="-1.763621"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.801255"
                                 y3="-1.51353"
                                 z3="-1.989839"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.291543"
                                 y3="-0.061051"
                                 z3="2.584586"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.09874"
                                 y3="-2.728752"
                                 z3="-1.971517"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.61917"
                                 y3="-0.548528"
                                 z3="1.379061"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.314192"
                                 y3="-0.375765"
                                 z3="-0.454345"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.714443"
                                 y3="1.328039"
                                 z3="-0.595831"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.097816"
                                 y3="1.591848"
                                 z3="1.490456"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.338022"
                                 y3="0.60139"
                                 z3="0.537381"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.389347"
                                 y3="-4.001665"
                                 z3="-1.032748"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.148228"
                                 y3="0.831338"
                                 z3="-0.646875"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.33706"
                                 y3="1.415777"
                                 z3="1.400885"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.09981"
                                 y3="2.556578"
                                 z3="-2.159956"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.206523"
                                 y3="3.803138"
                                 z3="-3.361781"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.695746"
                                 y3="1.928739"
                                 z3="-1.765128"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.407583"
                                 y3="-1.455449"
                                 z3="3.486383"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.271889"
                                 y3="0.812082"
                                 z3="4.107464"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.935164"
                                 y3="-2.700968"
                                 z3="0.864271"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.302596"
                                 y3="3.619063"
                                 z3="0.104568"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.128024"
                                 y3="-3.904849"
                                 z3="3.193792"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.901456"
                                 y3="-0.709342"
                                 z3="2.338798"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.1704,-2.2642,2.559;1.5192,-1.745,3.2891;.1415,2.2052,-2.5924;.1987,.984,-3.9062;-3.557,.6506,-3.368;2.6872,2.0576,-.4314;4.0628,1.0373,-.8155;-1.5,-2.4842,-.96;-2.8539,.4573,-1.7636;-2.8013,-1.5135,-1.9898;2.2915,-.0611,2.5846;-.0987,-2.7288,-1.9715;.6192,-.5485,1.3791;-1.3142,-.3758,-.4543;.7144,1.328,-.5958;-1.0978,1.5918,1.4905;-.338,.6014,.5374;-2.3893,-4.0017,-1.0327;-4.1482,.8313,-.6469;2.3371,1.4158,1.4009;2.0998,2.5566,-2.16;-.2065,3.8031,-3.3618;-1.6957,1.9287,-1.7651;-1.4076,-1.4554,3.4864;2.2719,.8121,4.1075;-.9352,-2.701,.8643;3.3026,3.6191,.1046;-.128,-3.9048,3.1938;3.9015,-.7093,2.3388;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">14</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">14</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69229142</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00706531</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">0.00217015</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">0.00706531</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00217015</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10801842</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">0.03163644</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.138238"
                                 y3="-2.285611"
                                 z3="2.545077"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.520347"
                                 y3="-1.722032"
                                 z3="3.311563"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.147012"
                                 y3="2.169993"
                                 z3="-2.596483"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.15545"
                                 y3="0.952307"
                                 z3="-3.914942"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.583797"
                                 y3="0.684588"
                                 z3="-3.367225"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.68755"
                                 y3="2.027562"
                                 z3="-0.434208"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.063868"
                                 y3="0.994439"
                                 z3="-0.772979"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.502602"
                                 y3="-2.457591"
                                 z3="-0.969672"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.864681"
                                 y3="0.477208"
                                 z3="-1.770601"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.800565"
                                 y3="-1.485705"
                                 z3="-2.002964"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.278042"
                                 y3="-0.026957"
                                 z3="2.61002"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.107278"
                                 y3="-2.695938"
                                 z3="-1.99047"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.611465"
                                 y3="-0.529284"
                                 z3="1.40918"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.338735"
                                 y3="-0.364403"
                                 z3="-0.434073"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.698296"
                                 y3="1.315266"
                                 z3="-0.587802"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.11263"
                                 y3="1.608744"
                                 z3="1.502613"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.354441"
                                 y3="0.613161"
                                 z3="0.555142"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.394512"
                                 y3="-3.975126"
                                 z3="-1.038811"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.15073"
                                 y3="0.84974"
                                 z3="-0.642772"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.324209"
                                 y3="1.445067"
                                 z3="1.41331"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.116856"
                                 y3="2.44856"
                                 z3="-2.18874"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.156425"
                                 y3="3.785859"
                                 z3="-3.350243"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.69524"
                                 y3="1.935287"
                                 z3="-1.767649"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.403753"
                                 y3="-1.560732"
                                 z3="3.503332"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.235199"
                                 y3="0.856095"
                                 z3="4.125436"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.902924"
                                 y3="-2.675496"
                                 z3="0.840545"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.306168"
                                 y3="3.607423"
                                 z3="0.037551"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.030439"
                                 y3="-3.949203"
                                 z3="3.110249"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.897829"
                                 y3="-0.65632"
                                 z3="2.386318"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.1382,-2.2856,2.5451;1.5203,-1.722,3.3116;.147,2.17,-2.5965;.1555,.9523,-3.9149;-3.5838,.6846,-3.3672;2.6875,2.0276,-.4342;4.0639,.9944,-.773;-1.5026,-2.4576,-.9697;-2.8647,.4772,-1.7706;-2.8006,-1.4857,-2.003;2.278,-.027,2.61;-.1073,-2.6959,-1.9905;.6115,-.5293,1.4092;-1.3387,-.3644,-.4341;.6983,1.3153,-.5878;-1.1126,1.6087,1.5026;-.3544,.6132,.5551;-2.3945,-3.9751,-1.0388;-4.1507,.8497,-.6428;2.3242,1.4451,1.4133;2.1169,2.4486,-2.1887;-.1564,3.7859,-3.3502;-1.6952,1.9353,-1.7676;-1.4038,-1.5607,3.5033;2.2352,.8561,4.1254;-.9029,-2.6755,.8405;3.3062,3.6074,.0376;-.0304,-3.9492,3.1102;3.8978,-.6563,2.3863;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">15</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">15</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69282313</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00690961</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">0.00184687</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">0.00690961</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00184687</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.11649781</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">0.02805696</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.113089"
                                 y3="-2.293444"
                                 z3="2.526884"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.515558"
                                 y3="-1.690142"
                                 z3="3.335312"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.151811"
                                 y3="2.139503"
                                 z3="-2.596122"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.10217"
                                 y3="0.932995"
                                 z3="-3.924365"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.618769"
                                 y3="0.722941"
                                 z3="-3.357771"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.693232"
                                 y3="1.999625"
                                 z3="-0.438287"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.079602"
                                 y3="0.963718"
                                 z3="-0.724612"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.503642"
                                 y3="-2.438513"
                                 z3="-0.980788"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.874559"
                                 y3="0.493702"
                                 z3="-1.775348"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.794291"
                                 y3="-1.459917"
                                 z3="-2.026406"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.267855"
                                 y3="0.003543"
                                 z3="2.633999"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.115831"
                                 y3="-2.687332"
                                 z3="-2.009179"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.61435"
                                 y3="-0.525039"
                                 z3="1.417601"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.349527"
                                 y3="-0.35903"
                                 z3="-0.426977"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.688553"
                                 y3="1.315785"
                                 z3="-0.582221"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.114405"
                                 y3="1.605645"
                                 z3="1.518086"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.36064"
                                 y3="0.614147"
                                 z3="0.562733"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.412839"
                                 y3="-3.94663"
                                 z3="-1.042179"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.145933"
                                 y3="0.855578"
                                 z3="-0.627135"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.31047"
                                 y3="1.466459"
                                 z3="1.420277"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.137857"
                                 y3="2.332062"
                                 z3="-2.216163"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.111913"
                                 y3="3.774014"
                                 z3="-3.323056"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.697703"
                                 y3="1.944734"
                                 z3="-1.766883"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.405235"
                                 y3="-1.636311"
                                 z3="3.498489"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.201475"
                                 y3="0.901497"
                                 z3="4.139224"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.880952"
                                 y3="-2.670019"
                                 z3="0.818926"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.288979"
                                 y3="3.600691"
                                 z3="-0.012505"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.054712"
                                 y3="-3.967213"
                                 z3="3.045082"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.898004"
                                 y3="-0.606149"
                                 z3="2.434084"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.1131,-2.2934,2.5269;1.5156,-1.6901,3.3353;.1518,2.1395,-2.5961;.1022,.933,-3.9244;-3.6188,.7229,-3.3578;2.6932,1.9996,-.4383;4.0796,.9637,-.7246;-1.5036,-2.4385,-.9808;-2.8746,.4937,-1.7753;-2.7943,-1.4599,-2.0264;2.2679,.0035,2.634;-.1158,-2.6873,-2.0092;.6143,-.525,1.4176;-1.3495,-.359,-.427;.6886,1.3158,-.5822;-1.1144,1.6056,1.5181;-.3606,.6141,.5627;-2.4128,-3.9466,-1.0422;-4.1459,.8556,-.6271;2.3105,1.4665,1.4203;2.1379,2.3321,-2.2162;-.1119,3.774,-3.3231;-1.6977,1.9447,-1.7669;-1.4052,-1.6363,3.4985;2.2015,.9015,4.1392;-.881,-2.67,.8189;3.289,3.6007,-.0125;.0547,-3.9672,3.0451;3.898,-.6061,2.4341;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">16</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">16</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69286448</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00769411</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">0.00204974</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">0.00769411</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00204974</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01973394</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">0.00753570</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.109165"
                                 y3="-2.29829"
                                 z3="2.528835"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.50788"
                                 y3="-1.681138"
                                 z3="3.348378"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.152139"
                                 y3="2.139272"
                                 z3="-2.592265"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.089855"
                                 y3="0.942116"
                                 z3="-3.928736"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.619615"
                                 y3="0.730405"
                                 z3="-3.364723"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.69346"
                                 y3="1.995933"
                                 z3="-0.444955"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.078826"
                                 y3="0.95957"
                                 z3="-0.734143"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.502304"
                                 y3="-2.433015"
                                 z3="-0.977912"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.874826"
                                 y3="0.493318"
                                 z3="-1.783455"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.788952"
                                 y3="-1.454476"
                                 z3="-2.036464"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.26456"
                                 y3="0.009777"
                                 z3="2.637787"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.11706"
                                 y3="-2.689596"
                                 z3="-2.007804"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.618304"
                                 y3="-0.528412"
                                 z3="1.417008"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.355722"
                                 y3="-0.360756"
                                 z3="-0.422897"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.68769"
                                 y3="1.314722"
                                 z3="-0.58016"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.109652"
                                 y3="1.602928"
                                 z3="1.525422"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.359889"
                                 y3="0.613459"
                                 z3="0.564529"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.423863"
                                 y3="-3.933868"
                                 z3="-1.037997"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.146216"
                                 y3="0.848003"
                                 z3="-0.632363"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.327137"
                                 y3="1.470551"
                                 z3="1.420483"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.142608"
                                 y3="2.312979"
                                 z3="-2.228666"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.108532"
                                 y3="3.7800"
                                 z3="-3.304502"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.699651"
                                 y3="1.943455"
                                 z3="-1.763709"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.408304"
                                 y3="-1.655112"
                                 z3="3.501019"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.185674"
                                 y3="0.913382"
                                 z3="4.138608"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.87627"
                                 y3="-2.67151"
                                 z3="0.818361"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.289182"
                                 y3="3.599465"
                                 z3="-0.028838"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.072544"
                                 y3="-3.973372"
                                 z3="3.03604"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.895465"
                                 y3="-0.60289"
                                 z3="2.453818"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.1092,-2.2983,2.5288;1.5079,-1.6811,3.3484;.1521,2.1393,-2.5923;.0899,.9421,-3.9287;-3.6196,.7304,-3.3647;2.6935,1.9959,-.445;4.0788,.9596,-.7341;-1.5023,-2.433,-.9779;-2.8748,.4933,-1.7835;-2.789,-1.4545,-2.0365;2.2646,.0098,2.6378;-.1171,-2.6896,-2.0078;.6183,-.5284,1.417;-1.3557,-.3608,-.4229;.6877,1.3147,-.5802;-1.1097,1.6029,1.5254;-.3599,.6135,.5645;-2.4239,-3.9339,-1.038;-4.1462,.848,-.6324;2.3271,1.4706,1.4205;2.1426,2.313,-2.2287;-.1085,3.78,-3.3045;-1.6997,1.9435,-1.7637;-1.4083,-1.6551,3.501;2.1857,.9134,4.1386;-.8763,-2.6715,.8184;3.2892,3.5995,-.0288;.0725,-3.9734,3.036;3.8955,-.6029,2.4538;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">17</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">17</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69304701</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00582483</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">0.00179758</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">0.00582483</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00179758</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02101237</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">0.00782495</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.1102"
                                 y3="-2.300921"
                                 z3="2.531854"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.498454"
                                 y3="-1.67017"
                                 z3="3.359111"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.149355"
                                 y3="2.144926"
                                 z3="-2.587413"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.074347"
                                 y3="0.958298"
                                 z3="-3.933166"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.621636"
                                 y3="0.738759"
                                 z3="-3.368519"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.696131"
                                 y3="1.990304"
                                 z3="-0.453204"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.082822"
                                 y3="0.955961"
                                 z3="-0.744762"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.497251"
                                 y3="-2.430238"
                                 z3="-0.975989"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.876363"
                                 y3="0.49167"
                                 z3="-1.789502"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.778604"
                                 y3="-1.450621"
                                 z3="-2.049834"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.261673"
                                 y3="0.01335"
                                 z3="2.641095"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.114159"
                                 y3="-2.699257"
                                 z3="-2.00556"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.622341"
                                 y3="-0.533998"
                                 z3="1.410568"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.357071"
                                 y3="-0.362106"
                                 z3="-0.418847"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.688861"
                                 y3="1.316894"
                                 z3="-0.580184"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.099507"
                                 y3="1.598494"
                                 z3="1.531753"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.355754"
                                 y3="0.610492"
                                 z3="0.563345"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.434371"
                                 y3="-3.920957"
                                 z3="-1.033682"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.148839"
                                 y3="0.833754"
                                 z3="-0.635551"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.341853"
                                 y3="1.465214"
                                 z3="1.415701"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.144798"
                                 y3="2.301794"
                                 z3="-2.238594"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.104969"
                                 y3="3.791606"
                                 z3="-3.284964"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.702905"
                                 y3="1.944653"
                                 z3="-1.757294"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.416954"
                                 y3="-1.665119"
                                 z3="3.498503"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.170023"
                                 y3="0.925499"
                                 z3="4.135931"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.873161"
                                 y3="-2.682427"
                                 z3="0.81947"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.287083"
                                 y3="3.597346"
                                 z3="-0.045449"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.085925"
                                 y3="-3.972921"
                                 z3="3.041054"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.893377"
                                 y3="-0.603379"
                                 z3="2.474831"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.1102,-2.3009,2.5319;1.4985,-1.6702,3.3591;.1494,2.1449,-2.5874;.0743,.9583,-3.9332;-3.6216,.7388,-3.3685;2.6961,1.9903,-.4532;4.0828,.956,-.7448;-1.4973,-2.4302,-.976;-2.8764,.4917,-1.7895;-2.7786,-1.4506,-2.0498;2.2617,.0134,2.6411;-.1142,-2.6993,-2.0056;.6223,-.534,1.4106;-1.3571,-.3621,-.4188;.6889,1.3169,-.5802;-1.0995,1.5985,1.5318;-.3558,.6105,.5633;-2.4344,-3.921,-1.0337;-4.1488,.8338,-.6356;2.3419,1.4652,1.4157;2.1448,2.3018,-2.2386;-.105,3.7916,-3.285;-1.7029,1.9447,-1.7573;-1.417,-1.6651,3.4985;2.17,.9255,4.1359;-.8732,-2.6824,.8195;3.2871,3.5973,-.0454;.0859,-3.9729,3.0411;3.8934,-.6034,2.4748;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">18</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">18</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69321773</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00516976</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">0.00144593</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">0.00516976</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00144593</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04425969</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">0.01559589</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.107604"
                                 y3="-2.302249"
                                 z3="2.531853"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.47998"
                                 y3="-1.644621"
                                 z3="3.380594"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.14418"
                                 y3="2.148185"
                                 z3="-2.580468"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.038745"
                                 y3="0.981335"
                                 z3="-3.942172"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.632859"
                                 y3="0.761582"
                                 z3="-3.364738"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.702111"
                                 y3="1.970514"
                                 z3="-0.470926"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.09396"
                                 y3="0.940195"
                                 z3="-0.75436"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.48491"
                                 y3="-2.421825"
                                 z3="-0.978627"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.880412"
                                 y3="0.492453"
                                 z3="-1.793868"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.756085"
                                 y3="-1.440014"
                                 z3="-2.07528"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.252821"
                                 y3="0.026334"
                                 z3="2.650211"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.105513"
                                 y3="-2.712007"
                                 z3="-2.007259"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.630241"
                                 y3="-0.540138"
                                 z3="1.399636"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.35728"
                                 y3="-0.365158"
                                 z3="-0.409997"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.688199"
                                 y3="1.318488"
                                 z3="-0.579031"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.086641"
                                 y3="1.590865"
                                 z3="1.542621"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.35202"
                                 y3="0.605148"
                                 z3="0.564692"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.445341"
                                 y3="-3.897025"
                                 z3="-1.03033"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.151143"
                                 y3="0.810347"
                                 z3="-0.630941"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.356896"
                                 y3="1.454538"
                                 z3="1.402878"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.14711"
                                 y3="2.263443"
                                 z3="-2.257139"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.094789"
                                 y3="3.807947"
                                 z3="-3.249261"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.706452"
                                 y3="1.94842"
                                 z3="-1.742586"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.432362"
                                 y3="-1.691051"
                                 z3="3.489584"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.137634"
                                 y3="0.959222"
                                 z3="4.130748"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.859539"
                                 y3="-2.693924"
                                 z3="0.815176"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.285177"
                                 y3="3.582893"
                                 z3="-0.07545"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.1146"
                                 y3="-3.971781"
                                 z3="3.03605"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.886596"
                                 y3="-0.595216"
                                 z3="2.51909"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.1076,-2.3022,2.5319;1.48,-1.6446,3.3806;.1442,2.1482,-2.5805;.0387,.9813,-3.9422;-3.6329,.7616,-3.3647;2.7021,1.9705,-.4709;4.094,.9402,-.7544;-1.4849,-2.4218,-.9786;-2.8804,.4925,-1.7939;-2.7561,-1.44,-2.0753;2.2528,.0263,2.6502;-.1055,-2.712,-2.0073;.6302,-.5401,1.3996;-1.3573,-.3652,-.41;.6882,1.3185,-.579;-1.0866,1.5909,1.5426;-.352,.6051,.5647;-2.4453,-3.897,-1.0303;-4.1511,.8103,-.6309;2.3569,1.4545,1.4029;2.1471,2.2634,-2.2571;-.0948,3.8079,-3.2493;-1.7065,1.9484,-1.7426;-1.4324,-1.6911,3.4896;2.1376,.9592,4.1307;-.8595,-2.6939,.8152;3.2852,3.5829,-.0755;.1146,-3.9718,3.036;3.8866,-.5952,2.5191;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">19</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">19</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69326368</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00492412</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">0.00141375</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">0.00492412</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00141375</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03798237</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">0.01242655</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.105297"
                                 y3="-2.303661"
                                 z3="2.530965"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.464818"
                                 y3="-1.625777"
                                 z3="3.395903"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.13891"
                                 y3="2.150259"
                                 z3="-2.57549"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.012907"
                                 y3="0.998357"
                                 z3="-3.9482"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.642822"
                                 y3="0.780987"
                                 z3="-3.359576"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.705488"
                                 y3="1.952492"
                                 z3="-0.485648"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.10092"
                                 y3="0.924908"
                                 z3="-0.763545"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.474245"
                                 y3="-2.414509"
                                 z3="-0.98214"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.884195"
                                 y3="0.494131"
                                 z3="-1.795653"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.735546"
                                 y3="-1.430308"
                                 z3="-2.094547"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.245271"
                                 y3="0.036776"
                                 z3="2.657964"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.096525"
                                 y3="-2.719928"
                                 z3="-2.008581"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.636557"
                                 y3="-0.543913"
                                 z3="1.39382"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.35727"
                                 y3="-0.367682"
                                 z3="-0.401075"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.68657"
                                 y3="1.318226"
                                 z3="-0.578246"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.078427"
                                 y3="1.586993"
                                 z3="1.55058"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.349771"
                                 y3="0.60123"
                                 z3="0.568848"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.451058"
                                 y3="-3.878884"
                                 z3="-1.030322"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.154087"
                                 y3="0.792228"
                                 z3="-0.62654"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.365931"
                                 y3="1.442032"
                                 z3="1.390054"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.147552"
                                 y3="2.23786"
                                 z3="-2.272386"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.087563"
                                 y3="3.820298"
                                 z3="-3.223455"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.708618"
                                 y3="1.949306"
                                 z3="-1.729693"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.44494"
                                 y3="-1.712267"
                                 z3="3.48038"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.113457"
                                 y3="0.989536"
                                 z3="4.124564"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.84552"
                                 y3="-2.700224"
                                 z3="0.810292"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.286481"
                                 y3="3.567469"
                                 z3="-0.098614"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.135994"
                                 y3="-3.970833"
                                 z3="3.033969"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.880328"
                                 y3="-0.588202"
                                 z3="2.557073"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.1053,-2.3037,2.531;1.4648,-1.6258,3.3959;.1389,2.1503,-2.5755;.0129,.9984,-3.9482;-3.6428,.781,-3.3596;2.7055,1.9525,-.4856;4.1009,.9249,-.7635;-1.4742,-2.4145,-.9821;-2.8842,.4941,-1.7957;-2.7355,-1.4303,-2.0945;2.2453,.0368,2.658;-.0965,-2.7199,-2.0086;.6366,-.5439,1.3938;-1.3573,-.3677,-.4011;.6866,1.3182,-.5782;-1.0784,1.587,1.5506;-.3498,.6012,.5688;-2.4511,-3.8789,-1.0303;-4.1541,.7922,-.6265;2.3659,1.442,1.3901;2.1476,2.2379,-2.2724;-.0876,3.8203,-3.2235;-1.7086,1.9493,-1.7297;-1.4449,-1.7123,3.4804;2.1135,.9895,4.1246;-.8455,-2.7002,.8103;3.2865,3.5675,-.0986;.136,-3.9708,3.034;3.8803,-.5882,2.5571;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">20</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">20</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69335134</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00434565</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">0.00132553</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">0.00434565</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00132553</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02211228</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">0.00753182</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.103527"
                                 y3="-2.304405"
                                 z3="2.530117"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.455849"
                                 y3="-1.614189"
                                 z3="3.405032"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.136447"
                                 y3="2.150273"
                                 z3="-2.572393"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.002652"
                                 y3="1.007197"
                                 z3="-3.95128"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.649523"
                                 y3="0.793012"
                                 z3="-3.355474"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.707118"
                                 y3="1.941305"
                                 z3="-0.494376"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.10498"
                                 y3="0.915417"
                                 z3="-0.76751"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.467833"
                                 y3="-2.409506"
                                 z3="-0.984544"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.886697"
                                 y3="0.495653"
                                 z3="-1.796062"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.723678"
                                 y3="-1.424075"
                                 z3="-2.105883"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.240253"
                                 y3="0.043751"
                                 z3="2.662665"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.091237"
                                 y3="-2.723402"
                                 z3="-2.009901"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.640241"
                                 y3="-0.546452"
                                 z3="1.390578"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.357383"
                                 y3="-0.368722"
                                 z3="-0.395794"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.685577"
                                 y3="1.317637"
                                 z3="-0.577414"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.073535"
                                 y3="1.584644"
                                 z3="1.555665"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.348533"
                                 y3="0.598892"
                                 z3="0.571627"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.453671"
                                 y3="-3.86777"
                                 z3="-1.030278"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.155775"
                                 y3="0.782072"
                                 z3="-0.623139"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.369705"
                                 y3="1.43523"
                                 z3="1.38261"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.149245"
                                 y3="2.220769"
                                 z3="-2.28319"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.082008"
                                 y3="3.826321"
                                 z3="-3.207846"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.709395"
                                 y3="1.949452"
                                 z3="-1.722045"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.452006"
                                 y3="-1.725788"
                                 z3="3.474883"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.098578"
                                 y3="1.008001"
                                 z3="4.12094"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.836744"
                                 y3="-2.703205"
                                 z3="0.806953"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.286064"
                                 y3="3.558134"
                                 z3="-0.112586"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.14942"
                                 y3="-3.970714"
                                 z3="3.030156"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.876016"
                                 y3="-0.582632"
                                 z3="2.579185"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.1035,-2.3044,2.5301;1.4558,-1.6142,3.405;.1364,2.1503,-2.5724;-.0027,1.0072,-3.9513;-3.6495,.793,-3.3555;2.7071,1.9413,-.4944;4.105,.9154,-.7675;-1.4678,-2.4095,-.9845;-2.8867,.4957,-1.7961;-2.7237,-1.4241,-2.1059;2.2403,.0438,2.6627;-.0912,-2.7234,-2.0099;.6402,-.5465,1.3906;-1.3574,-.3687,-.3958;.6856,1.3176,-.5774;-1.0735,1.5846,1.5557;-.3485,.5989,.5716;-2.4537,-3.8678,-1.0303;-4.1558,.7821,-.6231;2.3697,1.4352,1.3826;2.1492,2.2208,-2.2832;-.082,3.8263,-3.2078;-1.7094,1.9495,-1.722;-1.452,-1.7258,3.4749;2.0986,1.008,4.1209;-.8367,-2.7032,.807;3.2861,3.5581,-.1126;.1494,-3.9707,3.0302;3.876,-.5826,2.5792;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">21</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">21</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69331529</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00370958</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">0.00131940</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">0.00370958</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00131940</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01709535</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">0.00495084</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.100556"
                                 y3="-2.30682"
                                 z3="2.529171"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.451244"
                                 y3="-1.608479"
                                 z3="3.411067"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.134085"
                                 y3="2.149304"
                                 z3="-2.571132"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.010457"
                                 y3="1.007979"
                                 z3="-3.95086"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.655434"
                                 y3="0.800034"
                                 z3="-3.357816"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.706975"
                                 y3="1.935035"
                                 z3="-0.497552"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.10367"
                                 y3="0.907601"
                                 z3="-0.770684"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.466152"
                                 y3="-2.405105"
                                 z3="-0.984989"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.889878"
                                 y3="0.497686"
                                 z3="-1.800717"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.716073"
                                 y3="-1.418086"
                                 z3="-2.112215"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.239255"
                                 y3="0.047806"
                                 z3="2.66799"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.090244"
                                 y3="-2.723652"
                                 z3="-2.009651"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.643034"
                                 y3="-0.548254"
                                 z3="1.391742"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.360435"
                                 y3="-0.36808"
                                 z3="-0.391731"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.68333"
                                 y3="1.319018"
                                 z3="-0.576308"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.071128"
                                 y3="1.580236"
                                 z3="1.561968"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.347739"
                                 y3="0.59753"
                                 z3="0.574568"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.45804"
                                 y3="-3.859466"
                                 z3="-1.030078"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.157978"
                                 y3="0.777873"
                                 z3="-0.624815"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.374648"
                                 y3="1.43217"
                                 z3="1.380599"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.147651"
                                 y3="2.21267"
                                 z3="-2.2863"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.076389"
                                 y3="3.828299"
                                 z3="-3.20257"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.711999"
                                 y3="1.949026"
                                 z3="-1.721897"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.454323"
                                 y3="-1.737905"
                                 z3="3.47269"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.091951"
                                 y3="1.019703"
                                 z3="4.120282"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.829251"
                                 y3="-2.701757"
                                 z3="0.803881"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.288283"
                                 y3="3.552909"
                                 z3="-0.124395"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.161241"
                                 y3="-3.973334"
                                 z3="3.024173"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.876008"
                                 y3="-0.57704"
                                 z3="2.59628"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.1006,-2.3068,2.5292;1.4512,-1.6085,3.4111;.1341,2.1493,-2.5711;-.0105,1.008,-3.9509;-3.6554,.8,-3.3578;2.707,1.935,-.4976;4.1037,.9076,-.7707;-1.4662,-2.4051,-.985;-2.8899,.4977,-1.8007;-2.7161,-1.4181,-2.1122;2.2393,.0478,2.668;-.0902,-2.7237,-2.0097;.643,-.5483,1.3917;-1.3604,-.3681,-.3917;.6833,1.319,-.5763;-1.0711,1.5802,1.562;-.3477,.5975,.5746;-2.458,-3.8595,-1.0301;-4.158,.7779,-.6248;2.3746,1.4322,1.3806;2.1477,2.2127,-2.2863;-.0764,3.8283,-3.2026;-1.712,1.949,-1.7219;-1.4543,-1.7379,3.4727;2.092,1.0197,4.1203;-.8293,-2.7018,.8039;3.2883,3.5529,-.1244;.1612,-3.9733,3.0242;3.876,-.577,2.5963;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">22</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">22</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69338711</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00334371</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">0.00106639</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">0.00334371</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00106639</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05150840</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">0.01637337</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.087236"
                                 y3="-2.312728"
                                 z3="2.520957"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.438285"
                                 y3="-1.588853"
                                 z3="3.431178"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.129642"
                                 y3="2.140096"
                                 z3="-2.57056"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.033516"
                                 y3="1.00189"
                                 z3="-3.950811"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.677905"
                                 y3="0.824648"
                                 z3="-3.358443"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.707849"
                                 y3="1.912868"
                                 z3="-0.506201"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.100628"
                                 y3="0.878446"
                                 z3="-0.774528"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.462077"
                                 y3="-2.390598"
                                 z3="-0.989988"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.898649"
                                 y3="0.507255"
                                 z3="-1.811306"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.6928"
                                 y3="-1.397213"
                                 z3="-2.133519"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.233734"
                                 y3="0.063839"
                                 z3="2.687063"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.091191"
                                 y3="-2.725007"
                                 z3="-2.01639"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.649585"
                                 y3="-0.54899"
                                 z3="1.398148"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.368008"
                                 y3="-0.366978"
                                 z3="-0.379371"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.675638"
                                 y3="1.323743"
                                 z3="-0.571305"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.068288"
                                 y3="1.571798"
                                 z3="1.57879"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.348598"
                                 y3="0.595317"
                                 z3="0.583719"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.472684"
                                 y3="-3.833053"
                                 z3="-1.025795"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.158783"
                                 y3="0.770407"
                                 z3="-0.622049"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.382474"
                                 y3="1.425891"
                                 z3="1.375848"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.145278"
                                 y3="2.177415"
                                 z3="-2.294075"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.065573"
                                 y3="3.825378"
                                 z3="-3.191369"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.717767"
                                 y3="1.950684"
                                 z3="-1.723724"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.45844"
                                 y3="-1.782835"
                                 z3="3.463097"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.069024"
                                 y3="1.058243"
                                 z3="4.121325"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.802194"
                                 y3="-2.693925"
                                 z3="0.789432"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.296121"
                                 y3="3.532061"
                                 z3="-0.150558"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.206072"
                                 y3="-3.980967"
                                 z3="2.993347"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.87468"
                                 y3="-0.551933"
                                 z3="2.647789"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.0872,-2.3127,2.521;1.4383,-1.5889,3.4312;.1296,2.1401,-2.5706;-.0335,1.0019,-3.9508;-3.6779,.8246,-3.3584;2.7078,1.9129,-.5062;4.1006,.8784,-.7745;-1.4621,-2.3906,-.99;-2.8986,.5073,-1.8113;-2.6928,-1.3972,-2.1335;2.2337,.0638,2.6871;-.0912,-2.725,-2.0164;.6496,-.549,1.3981;-1.368,-.367,-.3794;.6756,1.3237,-.5713;-1.0683,1.5718,1.5788;-.3486,.5953,.5837;-2.4727,-3.8331,-1.0258;-4.1588,.7704,-.622;2.3825,1.4259,1.3758;2.1453,2.1774,-2.2941;-.0656,3.8254,-3.1914;-1.7178,1.9507,-1.7237;-1.4584,-1.7828,3.4631;2.069,1.0582,4.1213;-.8022,-2.6939,.7894;3.2961,3.5321,-.1506;.2061,-3.981,2.9933;3.8747,-.5519,2.6478;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">23</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">23</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69350531</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00515292</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">0.00113011</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">0.00515292</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00113011</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01076162</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">0.00359393</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.084033"
                                 y3="-2.314182"
                                 z3="2.518245"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.440238"
                                 y3="-1.589805"
                                 z3="3.433082"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.130979"
                                 y3="2.135957"
                                 z3="-2.572848"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.026474"
                                 y3="0.991128"
                                 z3="-3.948265"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.683549"
                                 y3="0.826174"
                                 z3="-3.357112"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.705995"
                                 y3="1.913514"
                                 z3="-0.503292"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.094643"
                                 y3="0.874187"
                                 z3="-0.774921"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.464571"
                                 y3="-2.389322"
                                 z3="-0.991451"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.900246"
                                 y3="0.510479"
                                 z3="-1.811586"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.69187"
                                 y3="-1.394095"
                                 z3="-2.135064"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.233888"
                                 y3="0.065148"
                                 z3="2.691121"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.096414"
                                 y3="-2.725213"
                                 z3="-2.021328"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.648711"
                                 y3="-0.548508"
                                 z3="1.403523"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.368643"
                                 y3="-0.366039"
                                 z3="-0.378475"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.674544"
                                 y3="1.324762"
                                 z3="-0.570104"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.06873"
                                 y3="1.575169"
                                 z3="1.578939"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.348782"
                                 y3="0.596267"
                                 z3="0.585195"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.476823"
                                 y3="-3.830821"
                                 z3="-1.022596"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.157221"
                                 y3="0.773927"
                                 z3="-0.619044"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.38039"
                                 y3="1.427636"
                                 z3="1.379001"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.148276"
                                 y3="2.183557"
                                 z3="-2.294161"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.070034"
                                 y3="3.817198"
                                 z3="-3.201463"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.717682"
                                 y3="1.949538"
                                 z3="-1.728743"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.456152"
                                 y3="-1.788098"
                                 z3="3.461134"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.068905"
                                 y3="1.059355"
                                 z3="4.125426"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.797129"
                                 y3="-2.690448"
                                 z3="0.785532"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.299218"
                                 y3="3.530469"
                                 z3="-0.144697"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.211773"
                                 y3="-3.983864"
                                 z3="2.984421"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.876092"
                                 y3="-0.547171"
                                 z3="2.650231"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.084,-2.3142,2.5182;1.4402,-1.5898,3.4331;.131,2.136,-2.5728;-.0265,.9911,-3.9483;-3.6835,.8262,-3.3571;2.706,1.9135,-.5033;4.0946,.8742,-.7749;-1.4646,-2.3893,-.9915;-2.9002,.5105,-1.8116;-2.6919,-1.3941,-2.1351;2.2339,.0651,2.6911;-.0964,-2.7252,-2.0213;.6487,-.5485,1.4035;-1.3686,-.366,-.3785;.6745,1.3248,-.5701;-1.0687,1.5752,1.5789;-.3488,.5963,.5852;-2.4768,-3.8308,-1.0226;-4.1572,.7739,-.619;2.3804,1.4276,1.379;2.1483,2.1836,-2.2942;-.07,3.8172,-3.2015;-1.7177,1.9495,-1.7287;-1.4562,-1.7881,3.4611;2.0689,1.0594,4.1254;-.7971,-2.6904,.7855;3.2992,3.5305,-.1447;.2118,-3.9839,2.9844;3.8761,-.5472,2.6502;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">24</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">24</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69358774</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00308532</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">0.00095842</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">0.00308532</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00095842</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02519898</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">0.00898618</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.076494"
                                 y3="-2.320026"
                                 z3="2.513093"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.43723"
                                 y3="-1.584107"
                                 z3="3.441552"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.12921"
                                 y3="2.13188"
                                 z3="-2.575724"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.024215"
                                 y3="0.979853"
                                 z3="-3.945627"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.69837"
                                 y3="0.834619"
                                 z3="-3.35318"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.704808"
                                 y3="1.906057"
                                 z3="-0.503912"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.082248"
                                 y3="0.854262"
                                 z3="-0.785288"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.462859"
                                 y3="-2.383026"
                                 z3="-0.994561"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.905379"
                                 y3="0.515942"
                                 z3="-1.813648"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.68075"
                                 y3="-1.383992"
                                 z3="-2.145662"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.229613"
                                 y3="0.07235"
                                 z3="2.701701"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.1022"
                                 y3="-2.729501"
                                 z3="-2.031026"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.647537"
                                 y3="-0.544924"
                                 z3="1.412972"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.371335"
                                 y3="-0.364648"
                                 z3="-0.369858"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.673711"
                                 y3="1.323653"
                                 z3="-0.56874"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.063839"
                                 y3="1.588154"
                                 z3="1.57867"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.348982"
                                 y3="0.599171"
                                 z3="0.588403"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.486688"
                                 y3="-3.816351"
                                 z3="-1.013675"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.156686"
                                 y3="0.771298"
                                 z3="-0.613429"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.383406"
                                 y3="1.424651"
                                 z3="1.380163"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.147377"
                                 y3="2.190274"
                                 z3="-2.29328"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.073457"
                                 y3="3.808216"
                                 z3="-3.214359"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.719958"
                                 y3="1.950038"
                                 z3="-1.73198"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.457152"
                                 y3="-1.81326"
                                 z3="3.454287"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.052195"
                                 y3="1.072707"
                                 z3="4.130242"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.77833"
                                 y3="-2.688429"
                                 z3="0.775458"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.313533"
                                 y3="3.517178"
                                 z3="-0.144039"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.236972"
                                 y3="-3.98963"
                                 z3="2.967918"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.874153"
                                 y3="-0.535508"
                                 z3="2.674229"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.0765,-2.32,2.5131;1.4372,-1.5841,3.4416;.1292,2.1319,-2.5757;-.0242,.9799,-3.9456;-3.6984,.8346,-3.3532;2.7048,1.9061,-.5039;4.0822,.8543,-.7853;-1.4629,-2.383,-.9946;-2.9054,.5159,-1.8136;-2.6808,-1.384,-2.1457;2.2296,.0723,2.7017;-.1022,-2.7295,-2.031;.6475,-.5449,1.413;-1.3713,-.3646,-.3699;.6737,1.3237,-.5687;-1.0638,1.5882,1.5787;-.349,.5992,.5884;-2.4867,-3.8164,-1.0137;-4.1567,.7713,-.6134;2.3834,1.4247,1.3802;2.1474,2.1903,-2.2933;-.0735,3.8082,-3.2144;-1.72,1.95,-1.732;-1.4572,-1.8133,3.4543;2.0522,1.0727,4.1302;-.7783,-2.6884,.7755;3.3135,3.5172,-.144;.237,-3.9896,2.9679;3.8742,-.5355,2.6742;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">25</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">25</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69373513</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00373239</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">0.00122797</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">0.00373239</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00122797</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03505960</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">0.01126214</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.067526"
                                 y3="-2.324324"
                                 z3="2.505626"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.42929"
                                 y3="-1.572541"
                                 z3="3.453816"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.126964"
                                 y3="2.127537"
                                 z3="-2.577246"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.027624"
                                 y3="0.970573"
                                 z3="-3.942843"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.719391"
                                 y3="0.848723"
                                 z3="-3.343777"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.704791"
                                 y3="1.89506"
                                 z3="-0.50684"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.06978"
                                 y3="0.828918"
                                 z3="-0.795668"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.458126"
                                 y3="-2.375508"
                                 z3="-0.999427"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.911224"
                                 y3="0.521531"
                                 z3="-1.81443"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.6656"
                                 y3="-1.370691"
                                 z3="-2.160256"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.22299"
                                 y3="0.083033"
                                 z3="2.714676"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.107192"
                                 y3="-2.737589"
                                 z3="-2.043393"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.650008"
                                 y3="-0.543121"
                                 z3="1.418218"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.371361"
                                 y3="-0.364964"
                                 z3="-0.361785"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.673018"
                                 y3="1.322593"
                                 z3="-0.567681"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.056448"
                                 y3="1.597209"
                                 z3="1.579208"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.347631"
                                 y3="0.600048"
                                 z3="0.591135"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.499122"
                                 y3="-3.796265"
                                 z3="-1.00515"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.153277"
                                 y3="0.763923"
                                 z3="-0.601904"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.387499"
                                 y3="1.420597"
                                 z3="1.380112"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.146197"
                                 y3="2.189851"
                                 z3="-2.295148"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.076566"
                                 y3="3.800298"
                                 z3="-3.223074"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.722239"
                                 y3="1.95123"
                                 z3="-1.731351"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.460645"
                                 y3="-1.840946"
                                 z3="3.440704"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.027098"
                                 y3="1.093002"
                                 z3="4.134053"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.754249"
                                 y3="-2.688914"
                                 z3="0.761839"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.329856"
                                 y3="3.500437"
                                 z3="-0.148258"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.266018"
                                 y3="-3.992858"
                                 z3="2.950256"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.870012"
                                 y3="-0.519944"
                                 z3="2.709289"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/rO22SiTaW5/c1-23-20-24(2,3)14-25(20,4,5)16-27(8,9)18-29(12,13,22(23)27)19-28(10,11)17-26(6,7,15-24)21(23)28">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;8;9;11/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3O3O3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8s9;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.0675,-2.3243,2.5056;1.4293,-1.5725,3.4538;.127,2.1275,-2.5772;-.0276,.9706,-3.9428;-3.7194,.8487,-3.3438;2.7048,1.8951,-.5068;4.0698,.8289,-.7957;-1.4581,-2.3755,-.9994;-2.9112,.5215,-1.8144;-2.6656,-1.3707,-2.1603;2.223,.083,2.7147;-.1072,-2.7376,-2.0434;.65,-.5431,1.4182;-1.3714,-.365,-.3618;.673,1.3226,-.5677;-1.0564,1.5972,1.5792;-.3476,.6,.5911;-2.4991,-3.7963,-1.0051;-4.1533,.7639,-.6019;2.3875,1.4206,1.3801;2.1462,2.1899,-2.2951;-.0766,3.8003,-3.2231;-1.7222,1.9512,-1.7314;-1.4606,-1.8409,3.4407;2.0271,1.093,4.1341;-.7542,-2.6889,.7618;3.3299,3.5004,-.1483;.266,-3.9929,2.9503;3.87,-.5199,2.7093;/R:/0/N:16,4,22,7,27,5,19,25,29,12,18,24,28,21,23,20,10,2,26,15,14,13,17,3,6,9,11,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,20.3,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">26</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">26</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69378766</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00462378</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">0.00151963</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">0.00462378</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00151963</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07066164</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">0.02353476</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.04822"
                                 y3="-2.333105"
                                 z3="2.487586"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.413414"
                                 y3="-1.550987"
                                 z3="3.473937"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.123721"
                                 y3="2.119194"
                                 z3="-2.581395"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.030215"
                                 y3="0.948417"
                                 z3="-3.934942"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.762654"
                                 y3="0.876808"
                                 z3="-3.319264"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.705265"
                                 y3="1.87586"
                                 z3="-0.510808"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.040272"
                                 y3="0.776126"
                                 z3="-0.813324"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.448077"
                                 y3="-2.362082"
                                 z3="-1.009336"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.921695"
                                 y3="0.531764"
                                 z3="-1.812436"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.639724"
                                 y3="-1.344249"
                                 z3="-2.185093"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.207239"
                                 y3="0.105038"
                                 z3="2.739387"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.12188"
                                 y3="-2.758028"
                                 z3="-2.072889"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.654084"
                                 y3="-0.536195"
                                 z3="1.42806"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.369105"
                                 y3="-0.366811"
                                 z3="-0.346514"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.673311"
                                 y3="1.319193"
                                 z3="-0.566558"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.043845"
                                 y3="1.614946"
                                 z3="1.577299"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.345562"
                                 y3="0.603413"
                                 z3="0.594997"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.525982"
                                 y3="-3.754086"
                                 z3="-0.986758"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.141825"
                                 y3="0.750396"
                                 z3="-0.573318"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.39324"
                                 y3="1.415996"
                                 z3="1.382057"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.143606"
                                 y3="2.194387"
                                 z3="-2.296351"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.083612"
                                 y3="3.782021"
                                 z3="-3.24913"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.725269"
                                 y3="1.954603"
                                 z3="-1.72878"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.466432"
                                 y3="-1.898333"
                                 z3="3.408592"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.971376"
                                 y3="1.131302"
                                 z3="4.141028"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.702103"
                                 y3="-2.69181"
                                 z3="0.731017"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.370463"
                                 y3="3.465941"
                                 z3="-0.15399"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.326454"
                                 y3="-3.996762"
                                 z3="2.917676"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.859053"
                                 y3="-0.486057"
                                 z3="2.77995"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.0482,-2.3331,2.4876;1.4134,-1.551,3.4739;.1237,2.1192,-2.5814;-.0302,.9484,-3.9349;-3.7627,.8768,-3.3193;2.7053,1.8759,-.5108;4.0403,.7761,-.8133;-1.4481,-2.3621,-1.0093;-2.9217,.5318,-1.8124;-2.6397,-1.3442,-2.1851;2.2072,.105,2.7394;-.1219,-2.758,-2.0729;.6541,-.5362,1.4281;-1.3691,-.3668,-.3465;.6733,1.3192,-.5666;-1.0438,1.6149,1.5773;-.3456,.6034,.595;-2.526,-3.7541,-.9868;-4.1418,.7504,-.5733;2.3932,1.416,1.3821;2.1436,2.1944,-2.2964;-.0836,3.782,-3.2491;-1.7253,1.9546,-1.7288;-1.4664,-1.8983,3.4086;1.9714,1.1313,4.141;-.7021,-2.6918,.731;3.3705,3.4659,-.154;.3265,-3.9968,2.9177;3.8591,-.4861,2.7799;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">27</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">27</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69390657</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00607395</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">0.00201014</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">0.00607395</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00201014</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02691722</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">0.00969991</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.040096"
                                 y3="-2.33528"
                                 z3="2.479758"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.407076"
                                 y3="-1.542929"
                                 z3="3.481442"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.12319"
                                 y3="2.116113"
                                 z3="-2.582822"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.02699"
                                 y3="0.937144"
                                 z3="-3.929381"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.781265"
                                 y3="0.887241"
                                 z3="-3.307466"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.705773"
                                 y3="1.870646"
                                 z3="-0.511073"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="4.025979"
                                 y3="0.755255"
                                 z3="-0.82051"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.444486"
                                 y3="-2.357321"
                                 z3="-1.013335"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.925749"
                                 y3="0.535467"
                                 z3="-1.810578"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.630714"
                                 y3="-1.334155"
                                 z3="-2.194171"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.200396"
                                 y3="0.113613"
                                 z3="2.748644"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.130724"
                                 y3="-2.769033"
                                 z3="-2.086539"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.656492"
                                 y3="-0.534493"
                                 z3="1.429849"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.366374"
                                 y3="-0.368265"
                                 z3="-0.34248"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.674647"
                                 y3="1.318242"
                                 z3="-0.566202"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.039374"
                                 y3="1.618631"
                                 z3="1.576858"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.343883"
                                 y3="0.6039"
                                 z3="0.595667"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.537389"
                                 y3="-3.736842"
                                 z3="-0.975608"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.13587"
                                 y3="0.744506"
                                 z3="-0.559999"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.395017"
                                 y3="1.416019"
                                 z3="1.384341"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.142104"
                                 y3="2.203124"
                                 z3="-2.295327"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.088726"
                                 y3="3.772848"
                                 z3="-3.263595"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.725797"
                                 y3="1.955434"
                                 z3="-1.728054"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.468099"
                                 y3="-1.917374"
                                 z3="3.393239"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.948257"
                                 y3="1.145142"
                                 z3="4.143631"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.679337"
                                 y3="-2.69277"
                                 z3="0.717388"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.390764"
                                 y3="3.452415"
                                 z3="-0.153599"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.34665"
                                 y3="-3.997792"
                                 z3="2.903756"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.853828"
                                 y3="-0.472585"
                                 z3="2.806868"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.0401,-2.3353,2.4798;1.4071,-1.5429,3.4814;.1232,2.1161,-2.5828;-.027,.9371,-3.9294;-3.7813,.8872,-3.3075;2.7058,1.8706,-.5111;4.026,.7553,-.8205;-1.4445,-2.3573,-1.0133;-2.9257,.5355,-1.8106;-2.6307,-1.3342,-2.1942;2.2004,.1136,2.7486;-.1307,-2.769,-2.0865;.6565,-.5345,1.4298;-1.3664,-.3683,-.3425;.6746,1.3182,-.5662;-1.0394,1.6186,1.5769;-.3439,.6039,.5957;-2.5374,-3.7368,-.9756;-4.1359,.7445,-.56;2.395,1.416,1.3843;2.1421,2.2031,-2.2953;-.0887,3.7728,-3.2636;-1.7258,1.9554,-1.7281;-1.4681,-1.9174,3.3932;1.9483,1.1451,4.1436;-.6793,-2.6928,.7174;3.3908,3.4524,-.1536;.3467,-3.9978,2.9038;3.8538,-.4726,2.8069;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">28</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">28</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69397566</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00679601</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">0.00209726</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">0.00679601</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00209726</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04568426</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">0.01766797</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.027285"
                                 y3="-2.336402"
                                 z3="2.464842"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.399097"
                                 y3="-1.533658"
                                 z3="3.487429"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.125185"
                                 y3="2.115168"
                                 z3="-2.585431"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.005519"
                                 y3="0.91332"
                                 z3="-3.912712"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.81151"
                                 y3="0.90062"
                                 z3="-3.285222"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.706428"
                                 y3="1.872014"
                                 z3="-0.506801"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.993175"
                                 y3="0.72393"
                                 z3="-0.833369"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.441049"
                                 y3="-2.355292"
                                 z3="-1.019627"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.93038"
                                 y3="0.538911"
                                 z3="-1.805626"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.622739"
                                 y3="-1.320871"
                                 z3="-2.203708"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.190336"
                                 y3="0.125066"
                                 z3="2.760537"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.157027"
                                 y3="-2.801459"
                                 z3="-2.115691"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.663404"
                                 y3="-0.532466"
                                 z3="1.428198"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.357571"
                                 y3="-0.373898"
                                 z3="-0.341287"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.679074"
                                 y3="1.318051"
                                 z3="-0.566363"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.035552"
                                 y3="1.6158"
                                 z3="1.576763"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.339489"
                                 y3="0.603619"
                                 z3="0.594661"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.564891"
                                 y3="-3.707584"
                                 z3="-0.951662"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.121619"
                                 y3="0.73368"
                                 z3="-0.534664"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.397853"
                                 y3="1.421741"
                                 z3="1.392168"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.139647"
                                 y3="2.243499"
                                 z3="-2.286802"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.106224"
                                 y3="3.754967"
                                 z3="-3.301278"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.724436"
                                 y3="1.955367"
                                 z3="-1.728121"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.471456"
                                 y3="-1.936182"
                                 z3="3.360163"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.911495"
                                 y3="1.160185"
                                 z3="4.147646"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.637906"
                                 y3="-2.696343"
                                 z3="0.691245"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.436448"
                                 y3="3.432497"
                                 z3="-0.142942"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.37164"
                                 y3="-3.995079"
                                 z3="2.892731"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.846173"
                                 y3="-0.452301"
                                 z3="2.845624"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.0273,-2.3364,2.4648;1.3991,-1.5337,3.4874;.1252,2.1152,-2.5854;-.0055,.9133,-3.9127;-3.8115,.9006,-3.2852;2.7064,1.872,-.5068;3.9932,.7239,-.8334;-1.441,-2.3553,-1.0196;-2.9304,.5389,-1.8056;-2.6227,-1.3209,-2.2037;2.1903,.1251,2.7605;-.157,-2.8015,-2.1157;.6634,-.5325,1.4282;-1.3576,-.3739,-.3413;.6791,1.3181,-.5664;-1.0356,1.6158,1.5768;-.3395,.6036,.5947;-2.5649,-3.7076,-.9517;-4.1216,.7337,-.5347;2.3979,1.4217,1.3922;2.1396,2.2435,-2.2868;-.1062,3.755,-3.3013;-1.7244,1.9554,-1.7281;-1.4715,-1.9362,3.3602;1.9115,1.1602,4.1476;-.6379,-2.6963,.6912;3.4364,3.4325,-.1429;.3716,-3.9951,2.8927;3.8462,-.4523,2.8456;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">29</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">29</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69413676</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00618732</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">0.00203374</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">0.00618732</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00203374</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03283210</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">0.01290046</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.01605"
                                 y3="-2.33679"
                                 z3="2.453462"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.393377"
                                 y3="-1.526138"
                                 z3="3.491173"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.128085"
                                 y3="2.11352"
                                 z3="-2.586109"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.008146"
                                 y3="0.89628"
                                 z3="-3.899713"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.831187"
                                 y3="0.911736"
                                 z3="-3.271197"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.708456"
                                 y3="1.872917"
                                 z3="-0.50345"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.973117"
                                 y3="0.703261"
                                 z3="-0.836395"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.440156"
                                 y3="-2.352788"
                                 z3="-1.022972"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.933447"
                                 y3="0.541622"
                                 z3="-1.803553"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.619523"
                                 y3="-1.311635"
                                 z3="-2.210667"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.181933"
                                 y3="0.13472"
                                 z3="2.76843"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.180952"
                                 y3="-2.827588"
                                 z3="-2.136432"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.669215"
                                 y3="-0.531017"
                                 z3="1.424739"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.35278"
                                 y3="-0.377531"
                                 z3="-0.341767"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.682072"
                                 y3="1.318344"
                                 z3="-0.566018"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.035885"
                                 y3="1.606868"
                                 z3="1.580331"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.337056"
                                 y3="0.602161"
                                 z3="0.593996"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.586404"
                                 y3="-3.683678"
                                 z3="-0.926536"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.112494"
                                 y3="0.726573"
                                 z3="-0.519715"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.397894"
                                 y3="1.430571"
                                 z3="1.398761"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.138176"
                                 y3="2.265802"
                                 z3="-2.280308"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.114653"
                                 y3="3.742311"
                                 z3="-3.324592"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.722699"
                                 y3="1.955868"
                                 z3="-1.728306"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.472586"
                                 y3="-1.953159"
                                 z3="3.335784"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.884685"
                                 y3="1.171705"
                                 z3="4.150087"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.606188"
                                 y3="-2.697718"
                                 z3="0.671226"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.46928"
                                 y3="3.418826"
                                 z3="-0.139569"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.393223"
                                 y3="-3.993665"
                                 z3="2.878254"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.839701"
                                 y3="-0.43448"
                                 z3="2.871758"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:-.016,-2.3368,2.4535;1.3934,-1.5261,3.4912;.1281,2.1135,-2.5861;.0081,.8963,-3.8997;-3.8312,.9117,-3.2712;2.7085,1.8729,-.5034;3.9731,.7033,-.8364;-1.4402,-2.3528,-1.023;-2.9334,.5416,-1.8036;-2.6195,-1.3116,-2.2107;2.1819,.1347,2.7684;-.181,-2.8276,-2.1364;.6692,-.531,1.4247;-1.3528,-.3775,-.3418;.6821,1.3183,-.566;-1.0359,1.6069,1.5803;-.3371,.6022,.594;-2.5864,-3.6837,-.9265;-4.1125,.7266,-.5197;2.3979,1.4306,1.3988;2.1382,2.2658,-2.2803;-.1147,3.7423,-3.3246;-1.7227,1.9559,-1.7283;-1.4726,-1.9532,3.3358;1.8847,1.1717,4.1501;-.6062,-2.6977,.6712;3.4693,3.4188,-.1396;.3932,-3.9937,2.8783;3.8397,-.4345,2.8718;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">30</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">30</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69419024</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00515076</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">0.00177438</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">0.00515076</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00177438</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04874695</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">0.01826484</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.005898"
                                 y3="-2.339513"
                                 z3="2.436235"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.393824"
                                 y3="-1.519568"
                                 z3="3.49067"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.136028"
                                 y3="2.10866"
                                 z3="-2.586031"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.027874"
                                 y3="0.871337"
                                 z3="-3.881451"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.846471"
                                 y3="0.926515"
                                 z3="-3.264056"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.711441"
                                 y3="1.876457"
                                 z3="-0.493999"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.953919"
                                 y3="0.68345"
                                 z3="-0.822744"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.447705"
                                 y3="-2.350203"
                                 z3="-1.023582"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.936172"
                                 y3="0.546245"
                                 z3="-1.806364"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.625288"
                                 y3="-1.302593"
                                 z3="-2.216451"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.171258"
                                 y3="0.149505"
                                 z3="2.776599"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.229124"
                                 y3="-2.87039"
                                 z3="-2.162766"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.677014"
                                 y3="-0.526579"
                                 z3="1.420115"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.352769"
                                 y3="-0.380618"
                                 z3="-0.345135"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.68321"
                                 y3="1.319302"
                                 z3="-0.564244"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.045931"
                                 y3="1.5886"
                                 z3="1.587883"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.337783"
                                 y3="0.599912"
                                 z3="0.594176"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.62633"
                                 y3="-3.647119"
                                 z3="-0.877789"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.105509"
                                 y3="0.724698"
                                 z3="-0.512595"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.389526"
                                 y3="1.454531"
                                 z3="1.411696"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.139678"
                                 y3="2.283413"
                                 z3="-2.268449"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.113478"
                                 y3="3.725197"
                                 z3="-3.351728"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.71891"
                                 y3="1.957322"
                                 z3="-1.732806"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.464624"
                                 y3="-1.987961"
                                 z3="3.308878"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.854782"
                                 y3="1.182572"
                                 z3="4.156275"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.567283"
                                 y3="-2.6945"
                                 z3="0.644976"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.508065"
                                 y3="3.406078"
                                 z3="-0.137893"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.436921"
                                 y3="-3.994256"
                                 z3="2.846828"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.833237"
                                 y3="-0.403594"
                                 z3="2.894451"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.0059,-2.3395,2.4362;1.3938,-1.5196,3.4907;.136,2.1087,-2.586;.0279,.8713,-3.8815;-3.8465,.9265,-3.2641;2.7114,1.8765,-.494;3.9539,.6835,-.8227;-1.4477,-2.3502,-1.0236;-2.9362,.5462,-1.8064;-2.6253,-1.3026,-2.2165;2.1713,.1495,2.7766;-.2291,-2.8704,-2.1628;.677,-.5266,1.4201;-1.3528,-.3806,-.3451;.6832,1.3193,-.5642;-1.0459,1.5886,1.5879;-.3378,.5999,.5942;-2.6263,-3.6471,-.8778;-4.1055,.7247,-.5126;2.3895,1.4545,1.4117;2.1397,2.2834,-2.2684;-.1135,3.7252,-3.3517;-1.7189,1.9573,-1.7328;-1.4646,-1.988,3.3089;1.8548,1.1826,4.1563;-.5673,-2.6945,.645;3.5081,3.4061,-.1379;.4369,-3.9943,2.8468;3.8332,-.4036,2.8945;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">31</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">31</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69426775</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00571288</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">0.00154831</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">0.00571288</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00154831</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05396734</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">0.02034922</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.029123"
                                 y3="-2.342425"
                                 z3="2.415651"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.38703"
                                 y3="-1.507586"
                                 z3="3.495949"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.14147"
                                 y3="2.100404"
                                 z3="-2.586133"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.035017"
                                 y3="0.847275"
                                 z3="-3.866216"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.869433"
                                 y3="0.947655"
                                 z3="-3.250913"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.714735"
                                 y3="1.870447"
                                 z3="-0.488106"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.935347"
                                 y3="0.653629"
                                 z3="-0.807733"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.448864"
                                 y3="-2.342325"
                                 z3="-1.026596"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.941387"
                                 y3="0.552546"
                                 z3="-1.80826"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.623785"
                                 y3="-1.288437"
                                 z3="-2.227825"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.156342"
                                 y3="0.168288"
                                 z3="2.790212"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.273369"
                                 y3="-2.910013"
                                 z3="-2.189261"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.685572"
                                 y3="-0.521299"
                                 z3="1.416408"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.351758"
                                 y3="-0.382262"
                                 z3="-0.345712"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.682668"
                                 y3="1.320195"
                                 z3="-0.562641"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.050982"
                                 y3="1.57336"
                                 z3="1.596412"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.337711"
                                 y3="0.598007"
                                 z3="0.59487"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.65882"
                                 y3="-3.601719"
                                 z3="-0.826716"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.096863"
                                 y3="0.719085"
                                 z3="-0.50032"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.379885"
                                 y3="1.474419"
                                 z3="1.422135"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.141827"
                                 y3="2.282594"
                                 z3="-2.26167"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.107916"
                                 y3="3.707963"
                                 z3="-3.3726"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.716953"
                                 y3="1.959848"
                                 z3="-1.734451"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.45793"
                                 y3="-2.03527"
                                 z3="3.277176"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.815362"
                                 y3="1.202643"
                                 z3="4.162513"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.519884"
                                 y3="-2.683914"
                                 z3="0.613393"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.543788"
                                 y3="3.38568"
                                 z3="-0.144497"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.490889"
                                 y3="-3.993987"
                                 z3="2.804305"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.8219"
                                 y3="-0.367899"
                                 z3="2.931328"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.0291,-2.3424,2.4157;1.387,-1.5076,3.4959;.1415,2.1004,-2.5861;.035,.8473,-3.8662;-3.8694,.9477,-3.2509;2.7147,1.8704,-.4881;3.9353,.6536,-.8077;-1.4489,-2.3423,-1.0266;-2.9414,.5525,-1.8083;-2.6238,-1.2884,-2.2278;2.1563,.1683,2.7902;-.2734,-2.91,-2.1893;.6856,-.5213,1.4164;-1.3518,-.3823,-.3457;.6827,1.3202,-.5626;-1.051,1.5734,1.5964;-.3377,.598,.5949;-2.6588,-3.6017,-.8267;-4.0969,.7191,-.5003;2.3799,1.4744,1.4221;2.1418,2.2826,-2.2617;-.1079,3.708,-3.3726;-1.717,1.9598,-1.7345;-1.4579,-2.0353,3.2772;1.8154,1.2026,4.1625;-.5199,-2.6839,.6134;3.5438,3.3857,-.1445;.4909,-3.994,2.8043;3.8219,-.3679,2.9313;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">32</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">32</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69423109</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00827122</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">0.00187409</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">0.00827122</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00187409</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02622284</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">0.00817371</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.037629"
                                 y3="-2.34903"
                                 z3="2.413104"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.394154"
                                 y3="-1.506469"
                                 z3="3.492213"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.144824"
                                 y3="2.095903"
                                 z3="-2.584923"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.029312"
                                 y3="0.847879"
                                 z3="-3.869749"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.858345"
                                 y3="0.949731"
                                 z3="-3.261844"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.717204"
                                 y3="1.86723"
                                 z3="-0.484422"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.951406"
                                 y3="0.659506"
                                 z3="-0.788181"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.460421"
                                 y3="-2.341044"
                                 z3="-1.0211"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.940827"
                                 y3="0.557153"
                                 z3="-1.811835"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.631083"
                                 y3="-1.288457"
                                 z3="-2.225783"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.154069"
                                 y3="0.173464"
                                 z3="2.789615"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.286716"
                                 y3="-2.912115"
                                 z3="-2.184377"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.683661"
                                 y3="-0.521098"
                                 z3="1.41671"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.357317"
                                 y3="-0.378117"
                                 z3="-0.34608"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.679803"
                                 y3="1.321043"
                                 z3="-0.561438"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.054599"
                                 y3="1.575436"
                                 z3="1.594681"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.340646"
                                 y3="0.597768"
                                 z3="0.594881"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.672881"
                                 y3="-3.597067"
                                 z3="-0.817345"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.104482"
                                 y3="0.730824"
                                 z3="-0.512132"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.365245"
                                 y3="1.482481"
                                 z3="1.423153"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.147055"
                                 y3="2.256371"
                                 z3="-2.261442"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.092066"
                                 y3="3.70951"
                                 z3="-3.362187"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.715085"
                                 y3="1.962182"
                                 z3="-1.737532"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.446627"
                                 y3="-2.05416"
                                 z3="3.283782"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.815752"
                                 y3="1.203668"
                                 z3="4.165692"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.522222"
                                 y3="-2.695604"
                                 z3="0.613554"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.530687"
                                 y3="3.392478"
                                 z3="-0.148287"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.514986"
                                 y3="-3.998483"
                                 z3="2.791476"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.822828"
                                 y3="-0.354083"
                                 z3="2.920495"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.0376,-2.349,2.4131;1.3942,-1.5065,3.4922;.1448,2.0959,-2.5849;.0293,.8479,-3.8697;-3.8583,.9497,-3.2618;2.7172,1.8672,-.4844;3.9514,.6595,-.7882;-1.4604,-2.341,-1.0211;-2.9408,.5572,-1.8118;-2.6311,-1.2885,-2.2258;2.1541,.1735,2.7896;-.2867,-2.9121,-2.1844;.6837,-.5211,1.4167;-1.3573,-.3781,-.3461;.6798,1.321,-.5614;-1.0546,1.5754,1.5947;-.3406,.5978,.5949;-2.6729,-3.5971,-.8173;-4.1045,.7308,-.5121;2.3652,1.4825,1.4232;2.1471,2.2564,-2.2614;-.0921,3.7095,-3.3622;-1.7151,1.9622,-1.7375;-1.4466,-2.0542,3.2838;1.8158,1.2037,4.1657;-.5222,-2.6956,.6136;3.5307,3.3925,-.1483;.515,-3.9985,2.7915;3.8228,-.3541,2.9205;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">33</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">33</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69443358</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00619005</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">0.00137192</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">0.00619005</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00137192</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08510223</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">0.02964443</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.067229"
                                 y3="-2.360282"
                                 z3="2.402898"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.443455"
                                 y3="-1.525272"
                                 z3="3.460859"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.16573"
                                 y3="2.090344"
                                 z3="-2.58234"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.078528"
                                 y3="0.824919"
                                 z3="-3.853067"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.808779"
                                 y3="0.934853"
                                 z3="-3.307239"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.716133"
                                 y3="1.892781"
                                 z3="-0.449435"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.95761"
                                 y3="0.687272"
                                 z3="-0.728121"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.511815"
                                 y3="-2.35576"
                                 z3="-1.005911"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.932111"
                                 y3="0.562683"
                                 z3="-1.826375"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.677675"
                                 y3="-1.30331"
                                 z3="-2.2039"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.161079"
                                 y3="0.179193"
                                 z3="2.774045"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.371818"
                                 y3="-2.957598"
                                 z3="-2.18854"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.679539"
                                 y3="-0.513804"
                                 z3="1.415898"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.370478"
                                 y3="-0.376311"
                                 z3="-0.362497"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.674769"
                                 y3="1.320685"
                                 z3="-0.5558"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.088428"
                                 y3="1.573768"
                                 z3="1.582119"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.355439"
                                 y3="0.599037"
                                 z3="0.593081"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.732159"
                                 y3="-3.594088"
                                 z3="-0.752372"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.121383"
                                 y3="0.774006"
                                 z3="-0.555705"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.315893"
                                 y3="1.531853"
                                 z3="1.445984"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.158561"
                                 y3="2.270904"
                                 z3="-2.229885"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.067045"
                                 y3="3.694848"
                                 z3="-3.381175"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.702126"
                                 y3="1.962607"
                                 z3="-1.759736"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.398979"
                                 y3="-2.075792"
                                 z3="3.307166"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.844843"
                                 y3="1.169647"
                                 z3="4.184354"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.53854"
                                 y3="-2.704513"
                                 z3="0.614044"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.523722"
                                 y3="3.421356"
                                 z3="-0.11453"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.555408"
                                 y3="-4.012104"
                                 z3="2.754548"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.839574"
                                 y3="-0.32502"
                                 z3="2.842334"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.0672,-2.3603,2.4029;1.4435,-1.5253,3.4609;.1657,2.0903,-2.5823;.0785,.8249,-3.8531;-3.8088,.9349,-3.3072;2.7161,1.8928,-.4494;3.9576,.6873,-.7281;-1.5118,-2.3558,-1.0059;-2.9321,.5627,-1.8264;-2.6777,-1.3033,-2.2039;2.1611,.1792,2.774;-.3718,-2.9576,-2.1885;.6795,-.5138,1.4159;-1.3705,-.3763,-.3625;.6748,1.3207,-.5558;-1.0884,1.5738,1.5821;-.3554,.599,.5931;-2.7322,-3.5941,-.7524;-4.1214,.774,-.5557;2.3159,1.5319,1.446;2.1586,2.2709,-2.2299;-.067,3.6948,-3.3812;-1.7021,1.9626,-1.7597;-1.399,-2.0758,3.3072;1.8448,1.1696,4.1844;-.5385,-2.7045,.614;3.5237,3.4214,-.1145;.5554,-4.0121,2.7545;3.8396,-.325,2.8423;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">34</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">34</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69479113</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00488375</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">0.00139891</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">0.00488375</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00139891</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07904540</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">0.02976037</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.094928"
                                 y3="-2.363977"
                                 z3="2.373905"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.417708"
                                 y3="-1.501346"
                                 z3="3.481886"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.163889"
                                 y3="2.079277"
                                 z3="-2.58401"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.068612"
                                 y3="0.802552"
                                 z3="-3.84307"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.848756"
                                 y3="0.972093"
                                 z3="-3.285599"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.716356"
                                 y3="1.867807"
                                 z3="-0.451014"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.924904"
                                 y3="0.628984"
                                 z3="-0.725165"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.500031"
                                 y3="-2.338019"
                                 z3="-1.015488"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.94247"
                                 y3="0.571652"
                                 z3="-1.831102"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.654795"
                                 y3="-1.277752"
                                 z3="-2.231621"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.139172"
                                 y3="0.206175"
                                 z3="2.800673"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.415631"
                                 y3="-2.999089"
                                 z3="-2.218944"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.69275"
                                 y3="-0.507985"
                                 z3="1.413566"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.364744"
                                 y3="-0.381896"
                                 z3="-0.355172"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.668269"
                                 y3="1.321526"
                                 z3="-0.554713"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.083388"
                                 y3="1.562896"
                                 z3="1.593342"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.352697"
                                 y3="0.595869"
                                 z3="0.595539"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.753565"
                                 y3="-3.524062"
                                 z3="-0.686479"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.106211"
                                 y3="0.756654"
                                 z3="-0.532334"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.313473"
                                 y3="1.53847"
                                 z3="1.449922"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.156977"
                                 y3="2.252903"
                                 z3="-2.227206"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.062477"
                                 y3="3.678869"
                                 z3="-3.395291"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.704666"
                                 y3="1.964498"
                                 z3="-1.756714"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.393933"
                                 y3="-2.147637"
                                 z3="3.260077"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.780977"
                                 y3="1.21175"
                                 z3="4.18983"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.466933"
                                 y3="-2.673395"
                                 z3="0.568103"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.563524"
                                 y3="3.378022"
                                 z3="-0.131579"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.634453"
                                 y3="-4.005081"
                                 z3="2.699175"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.819602"
                                 y3="-0.282858"
                                 z3="2.920184"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.0949,-2.364,2.3739;1.4177,-1.5013,3.4819;.1639,2.0793,-2.584;.0686,.8026,-3.8431;-3.8488,.9721,-3.2856;2.7164,1.8678,-.451;3.9249,.629,-.7252;-1.5,-2.338,-1.0155;-2.9425,.5717,-1.8311;-2.6548,-1.2778,-2.2316;2.1392,.2062,2.8007;-.4156,-2.9991,-2.2189;.6927,-.508,1.4136;-1.3647,-.3819,-.3552;.6683,1.3215,-.5547;-1.0834,1.5629,1.5933;-.3527,.5959,.5955;-2.7536,-3.5241,-.6865;-4.1062,.7567,-.5323;2.3135,1.5385,1.4499;2.157,2.2529,-2.2272;-.0625,3.6789,-3.3953;-1.7047,1.9645,-1.7567;-1.3939,-2.1476,3.2601;1.781,1.2118,4.1898;-.4669,-2.6734,.5681;3.5635,3.378,-.1316;.6345,-4.0051,2.6992;3.8196,-.2829,2.9202;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">35</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">35</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69471207</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00747477</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">0.00143606</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">0.00747477</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00143606</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07329344</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">0.02455079</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.123493"
                                 y3="-2.370517"
                                 z3="2.345027"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.411573"
                                 y3="-1.490327"
                                 z3="3.485677"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.16863"
                                 y3="2.070436"
                                 z3="-2.584231"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.077842"
                                 y3="0.778443"
                                 z3="-3.828263"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.867056"
                                 y3="0.992872"
                                 z3="-3.280311"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.716501"
                                 y3="1.858151"
                                 z3="-0.441227"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.901064"
                                 y3="0.594538"
                                 z3="-0.704726"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.505776"
                                 y3="-2.329629"
                                 z3="-1.015761"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.948856"
                                 y3="0.579302"
                                 z3="-1.837435"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.651056"
                                 y3="-1.263418"
                                 z3="-2.244304"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.123858"
                                 y3="0.227097"
                                 z3="2.817042"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.480601"
                                 y3="-3.051673"
                                 z3="-2.237203"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.705231"
                                 y3="-0.50335"
                                 z3="1.409679"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.361333"
                                 y3="-0.383294"
                                 z3="-0.356743"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.663784"
                                 y3="1.324572"
                                 z3="-0.553489"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.085881"
                                 y3="1.550706"
                                 z3="1.598359"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.350688"
                                 y3="0.593139"
                                 z3="0.595036"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.787904"
                                 y3="-3.459748"
                                 z3="-0.613186"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.102075"
                                 y3="0.753413"
                                 z3="-0.527386"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.292051"
                                 y3="1.557178"
                                 z3="1.459192"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.161978"
                                 y3="2.248838"
                                 z3="-2.217949"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.053164"
                                 y3="3.661473"
                                 z3="-3.414478"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.702981"
                                 y3="1.964808"
                                 z3="-1.76053"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.377655"
                                 y3="-2.206244"
                                 z3="3.221463"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.73975"
                                 y3="1.230109"
                                 z3="4.200953"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.412583"
                                 y3="-2.650977"
                                 z3="0.528565"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.592878"
                                 y3="3.353459"
                                 z3="-0.129982"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.706023"
                                 y3="-4.00059"
                                 z3="2.649871"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.808254"
                                 y3="-0.241865"
                                 z3="2.957037"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1235,-2.3705,2.345;1.4116,-1.4903,3.4857;.1686,2.0704,-2.5842;.0778,.7784,-3.8283;-3.8671,.9929,-3.2803;2.7165,1.8582,-.4412;3.9011,.5945,-.7047;-1.5058,-2.3296,-1.0158;-2.9489,.5793,-1.8374;-2.6511,-1.2634,-2.2443;2.1239,.2271,2.817;-.4806,-3.0517,-2.2372;.7052,-.5033,1.4097;-1.3613,-.3833,-.3567;.6638,1.3246,-.5535;-1.0859,1.5507,1.5984;-.3507,.5931,.595;-2.7879,-3.4597,-.6132;-4.1021,.7534,-.5274;2.2921,1.5572,1.4592;2.162,2.2488,-2.2179;-.0532,3.6615,-3.4145;-1.703,1.9648,-1.7605;-1.3777,-2.2062,3.2215;1.7397,1.2301,4.201;-.4126,-2.651,.5286;3.5929,3.3535,-.13;.706,-4.0006,2.6499;3.8083,-.2419,2.957;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">36</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">36</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69448214</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01007890</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">0.00208411</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">0.01007890</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00208411</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01905228</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">0.00685751</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.130939"
                                 y3="-2.377534"
                                 z3="2.338436"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.408164"
                                 y3="-1.488883"
                                 z3="3.487058"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.169951"
                                 y3="2.065502"
                                 z3="-2.586326"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.074257"
                                 y3="0.772146"
                                 z3="-3.828624"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.873259"
                                 y3="0.99724"
                                 z3="-3.27503"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.71776"
                                 y3="1.853169"
                                 z3="-0.441907"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.9023"
                                 y3="0.588158"
                                 z3="-0.698933"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.506371"
                                 y3="-2.318589"
                                 z3="-1.009489"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.95117"
                                 y3="0.584565"
                                 z3="-1.83439"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.655481"
                                 y3="-1.26334"
                                 z3="-2.244032"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.115519"
                                 y3="0.231726"
                                 z3="2.821274"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.485669"
                                 y3="-3.040718"
                                 z3="-2.234689"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.706589"
                                 y3="-0.504145"
                                 z3="1.410701"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.360194"
                                 y3="-0.378305"
                                 z3="-0.35347"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.664258"
                                 y3="1.323272"
                                 z3="-0.55676"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.082927"
                                 y3="1.551127"
                                 z3="1.597111"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.347943"
                                 y3="0.59353"
                                 z3="0.593509"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.788999"
                                 y3="-3.446024"
                                 z3="-0.600996"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.101784"
                                 y3="0.76175"
                                 z3="-0.522534"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.282632"
                                 y3="1.559702"
                                 z3="1.458804"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.164208"
                                 y3="2.238374"
                                 z3="-2.222722"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.048541"
                                 y3="3.655958"
                                 z3="-3.418521"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.701122"
                                 y3="1.966384"
                                 z3="-1.76195"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.374328"
                                 y3="-2.222883"
                                 z3="3.209616"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.720747"
                                 y3="1.2344"
                                 z3="4.202315"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.393531"
                                 y3="-2.66577"
                                 z3="0.516789"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.595176"
                                 y3="3.348613"
                                 z3="-0.133966"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.722345"
                                 y3="-4.005025"
                                 z3="2.640039"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.801774"
                                 y3="-0.227499"
                                 z3="2.969386"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1309,-2.3775,2.3384;1.4082,-1.4889,3.4871;.17,2.0655,-2.5863;.0743,.7721,-3.8286;-3.8733,.9972,-3.275;2.7178,1.8532,-.4419;3.9023,.5882,-.6989;-1.5064,-2.3186,-1.0095;-2.9512,.5846,-1.8344;-2.6555,-1.2633,-2.244;2.1155,.2317,2.8213;-.4857,-3.0407,-2.2347;.7066,-.5041,1.4107;-1.3602,-.3783,-.3535;.6643,1.3233,-.5568;-1.0829,1.5511,1.5971;-.3479,.5935,.5935;-2.789,-3.446,-.601;-4.1018,.7618,-.5225;2.2826,1.5597,1.4588;2.1642,2.2384,-2.2227;-.0485,3.656,-3.4185;-1.7011,1.9664,-1.7619;-1.3743,-2.2229,3.2096;1.7207,1.2344,4.2023;-.3935,-2.6658,.5168;3.5952,3.3486,-.134;.7223,-4.005,2.64;3.8018,-.2275,2.9694;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">37</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">37</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69454516</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00870978</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">0.00185850</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">0.00870978</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00185850</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.11049625</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">0.03832186</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.091617"
                                 y3="-2.377259"
                                 z3="2.382598"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.427015"
                                 y3="-1.51069"
                                 z3="3.471822"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.166585"
                                 y3="2.08939"
                                 z3="-2.585268"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.084033"
                                 y3="0.815389"
                                 z3="-3.848057"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.824451"
                                 y3="0.955144"
                                 z3="-3.301449"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.716418"
                                 y3="1.883107"
                                 z3="-0.451294"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.936205"
                                 y3="0.656614"
                                 z3="-0.733705"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.517013"
                                 y3="-2.337469"
                                 z3="-0.994424"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.938159"
                                 y3="0.571927"
                                 z3="-1.830304"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.667711"
                                 y3="-1.291783"
                                 z3="-2.217422"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.142325"
                                 y3="0.197571"
                                 z3="2.789118"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.415399"
                                 y3="-2.982394"
                                 z3="-2.190804"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.691674"
                                 y3="-0.518826"
                                 z3="1.40759"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.362852"
                                 y3="-0.376557"
                                 z3="-0.354642"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.673274"
                                 y3="1.32207"
                                 z3="-0.560886"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.077389"
                                 y3="1.564384"
                                 z3="1.584183"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.345721"
                                 y3="0.594736"
                                 z3="0.588919"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.763091"
                                 y3="-3.536898"
                                 z3="-0.685804"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.11743"
                                 y3="0.775821"
                                 z3="-0.549089"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.308388"
                                 y3="1.536658"
                                 z3="1.447705"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.157526"
                                 y3="2.277446"
                                 z3="-2.228527"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.068135"
                                 y3="3.688593"
                                 z3="-3.394652"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.698883"
                                 y3="1.961639"
                                 z3="-1.761024"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.391959"
                                 y3="-2.126054"
                                 z3="3.26801"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.787655"
                                 y3="1.193757"
                                 z3="4.186311"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.4758"
                                 y3="-2.727189"
                                 z3="0.57883"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.550221"
                                 y3="3.397683"
                                 z3="-0.11679"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.611848"
                                 y3="-4.02108"
                                 z3="2.725546"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.824508"
                                 y3="-0.288831"
                                 z3="2.894209"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.0916,-2.3773,2.3826;1.427,-1.5107,3.4718;.1666,2.0894,-2.5853;.084,.8154,-3.8481;-3.8245,.9551,-3.3014;2.7164,1.8831,-.4513;3.9362,.6566,-.7337;-1.517,-2.3375,-.9944;-2.9382,.5719,-1.8303;-2.6677,-1.2918,-2.2174;2.1423,.1976,2.7891;-.4154,-2.9824,-2.1908;.6917,-.5188,1.4076;-1.3629,-.3766,-.3546;.6733,1.3221,-.5609;-1.0774,1.5644,1.5842;-.3457,.5947,.5889;-2.7631,-3.5369,-.6858;-4.1174,.7758,-.5491;2.3084,1.5367,1.4477;2.1575,2.2774,-2.2285;-.0681,3.6886,-3.3947;-1.6989,1.9616,-1.761;-1.392,-2.1261,3.268;1.7877,1.1938,4.1863;-.4758,-2.7272,.5788;3.5502,3.3977,-.1168;.6118,-4.0211,2.7255;3.8245,-.2888,2.8942;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">38</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">38</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69481296</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00600509</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">0.00189164</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">0.00600509</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00189164</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08371138</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">0.02318368</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.11171"
                                 y3="-2.380479"
                                 z3="2.357641"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.422226"
                                 y3="-1.501546"
                                 z3="3.469131"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.172446"
                                 y3="2.089929"
                                 z3="-2.583657"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.106778"
                                 y3="0.802406"
                                 z3="-3.833423"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.829314"
                                 y3="0.966852"
                                 z3="-3.30184"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.716353"
                                 y3="1.888297"
                                 z3="-0.439639"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.909838"
                                 y3="0.636644"
                                 z3="-0.720907"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.526097"
                                 y3="-2.347117"
                                 z3="-0.997317"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.938414"
                                 y3="0.570619"
                                 z3="-1.837422"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.666823"
                                 y3="-1.283186"
                                 z3="-2.222237"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.133641"
                                 y3="0.21429"
                                 z3="2.799095"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.497542"
                                 y3="-3.066105"
                                 z3="-2.218145"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.702643"
                                 y3="-0.514209"
                                 z3="1.400325"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.354978"
                                 y3="-0.38653"
                                 z3="-0.361862"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.673287"
                                 y3="1.3264"
                                 z3="-0.558664"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.077196"
                                 y3="1.550289"
                                 z3="1.588612"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.341398"
                                 y3="0.591795"
                                 z3="0.585558"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.808192"
                                 y3="-3.482592"
                                 z3="-0.610471"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.110259"
                                 y3="0.768186"
                                 z3="-0.548482"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.293934"
                                 y3="1.559404"
                                 z3="1.459212"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.162847"
                                 y3="2.299629"
                                 z3="-2.213004"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.066545"
                                 y3="3.679496"
                                 z3="-3.411238"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.695554"
                                 y3="1.957875"
                                 z3="-1.761559"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.383952"
                                 y3="-2.169341"
                                 z3="3.23311"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.76138"
                                 y3="1.204807"
                                 z3="4.195549"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.431928"
                                 y3="-2.698567"
                                 z3="0.546393"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.583202"
                                 y3="3.384914"
                                 z3="-0.106763"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.665023"
                                 y3="-4.014286"
                                 z3="2.695359"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.818185"
                                 y3="-0.260975"
                                 z3="2.917344"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1117,-2.3805,2.3576;1.4222,-1.5015,3.4691;.1724,2.0899,-2.5837;.1068,.8024,-3.8334;-3.8293,.9669,-3.3018;2.7164,1.8883,-.4396;3.9098,.6366,-.7209;-1.5261,-2.3471,-.9973;-2.9384,.5706,-1.8374;-2.6668,-1.2832,-2.2222;2.1336,.2143,2.7991;-.4975,-3.0661,-2.2181;.7026,-.5142,1.4003;-1.355,-.3865,-.3619;.6733,1.3264,-.5587;-1.0772,1.5503,1.5886;-.3414,.5918,.5856;-2.8082,-3.4826,-.6105;-4.1103,.7682,-.5485;2.2939,1.5594,1.4592;2.1628,2.2996,-2.213;-.0665,3.6795,-3.4112;-1.6956,1.9579,-1.7616;-1.384,-2.1693,3.2331;1.7614,1.2048,4.1955;-.4319,-2.6986,.5464;3.5832,3.3849,-.1068;.665,-4.0143,2.6954;3.8182,-.261,2.9173;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">39</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">39</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69499838</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00451797</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">0.00101702</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">0.00451797</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00101702</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01438180</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">0.00427809</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.117286"
                                 y3="-2.381121"
                                 z3="2.355263"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.424994"
                                 y3="-1.499805"
                                 z3="3.468132"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.174668"
                                 y3="2.087858"
                                 z3="-2.583161"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.107595"
                                 y3="0.803492"
                                 z3="-3.836149"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.822468"
                                 y3="0.968204"
                                 z3="-3.308265"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.715259"
                                 y3="1.888903"
                                 z3="-0.436217"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.912074"
                                 y3="0.638746"
                                 z3="-0.709772"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.53362"
                                 y3="-2.347614"
                                 z3="-0.995662"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.937114"
                                 y3="0.571373"
                                 z3="-1.840603"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.669333"
                                 y3="-1.284749"
                                 z3="-2.22346"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.134301"
                                 y3="0.216999"
                                 z3="2.798299"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.508936"
                                 y3="-3.072042"
                                 z3="-2.216401"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.702388"
                                 y3="-0.513946"
                                 z3="1.399663"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.355358"
                                 y3="-0.388623"
                                 z3="-0.363113"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.671155"
                                 y3="1.32715"
                                 z3="-0.557562"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.083503"
                                 y3="1.548139"
                                 z3="1.587981"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.344336"
                                 y3="0.590936"
                                 z3="0.586399"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.814134"
                                 y3="-3.480314"
                                 z3="-0.596089"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.111319"
                                 y3="0.774919"
                                 z3="-0.554673"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.289196"
                                 y3="1.564773"
                                 z3="1.461956"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.164397"
                                 y3="2.291683"
                                 z3="-2.21074"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.060617"
                                 y3="3.680177"
                                 z3="-3.406157"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.693662"
                                 y3="1.957564"
                                 z3="-1.763892"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.37751"
                                 y3="-2.176509"
                                 z3="3.23392"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.765327"
                                 y3="1.204578"
                                 z3="4.197694"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.433941"
                                 y3="-2.699805"
                                 z3="0.545971"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.579018"
                                 y3="3.388109"
                                 z3="-0.106915"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.673838"
                                 y3="-4.0159"
                                 z3="2.684219"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.819655"
                                 y3="-0.256278"
                                 z3="2.910036"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1173,-2.3811,2.3553;1.425,-1.4998,3.4681;.1747,2.0879,-2.5832;.1076,.8035,-3.8361;-3.8225,.9682,-3.3083;2.7153,1.8889,-.4362;3.9121,.6387,-.7098;-1.5336,-2.3476,-.9957;-2.9371,.5714,-1.8406;-2.6693,-1.2847,-2.2235;2.1343,.217,2.7983;-.5089,-3.072,-2.2164;.7024,-.5139,1.3997;-1.3554,-.3886,-.3631;.6712,1.3272,-.5576;-1.0835,1.5481,1.588;-.3443,.5909,.5864;-2.8141,-3.4803,-.5961;-4.1113,.7749,-.5547;2.2892,1.5648,1.462;2.1644,2.2917,-2.2107;-.0606,3.6802,-3.4062;-1.6937,1.9576,-1.7639;-1.3775,-2.1765,3.2339;1.7653,1.2046,4.1977;-.4339,-2.6998,.546;3.579,3.3881,-.1069;.6738,-4.0159,2.6842;3.8197,-.2563,2.91;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">40</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">40</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69504341</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00270298</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">0.00066397</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">0.00270298</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00066397</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06700115</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">0.01683719</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.13367"
                                 y3="-2.384058"
                                 z3="2.341011"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.432244"
                                 y3="-1.497082"
                                 z3="3.461187"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.181846"
                                 y3="2.090838"
                                 z3="-2.582036"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.133071"
                                 y3="0.804337"
                                 z3="-3.833556"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.803812"
                                 y3="0.965116"
                                 z3="-3.328619"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.711885"
                                 y3="1.902345"
                                 z3="-0.422952"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.896868"
                                 y3="0.640605"
                                 z3="-0.692782"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.556256"
                                 y3="-2.36046"
                                 z3="-0.98839"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.933097"
                                 y3="0.567791"
                                 z3="-1.852627"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.675142"
                                 y3="-1.289689"
                                 z3="-2.221681"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.137462"
                                 y3="0.224259"
                                 z3="2.799163"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.575937"
                                 y3="-3.134125"
                                 z3="-2.216405"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.706552"
                                 y3="-0.511652"
                                 z3="1.396065"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.350992"
                                 y3="-0.397516"
                                 z3="-0.370855"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.669865"
                                 y3="1.331979"
                                 z3="-0.555356"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.094091"
                                 y3="1.5392"
                                 z3="1.587344"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.346057"
                                 y3="0.588909"
                                 z3="0.585899"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.855183"
                                 y3="-3.450127"
                                 z3="-0.536584"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.113833"
                                 y3="0.783919"
                                 z3="-0.575292"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.278743"
                                 y3="1.583834"
                                 z3="1.47477"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.168037"
                                 y3="2.314446"
                                 z3="-2.19636"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.059145"
                                 y3="3.679855"
                                 z3="-3.409436"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.688446"
                                 y3="1.952364"
                                 z3="-1.771297"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.364535"
                                 y3="-2.19883"
                                 z3="3.218254"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.773037"
                                 y3="1.199394"
                                 z3="4.208381"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.421091"
                                 y3="-2.692218"
                                 z3="0.533499"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.590143"
                                 y3="3.392718"
                                 z3="-0.089729"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.704574"
                                 y3="-4.016013"
                                 z3="2.661157"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.82492"
                                 y3="-0.243241"
                                 z3="2.897926"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1337,-2.3841,2.341;1.4322,-1.4971,3.4612;.1818,2.0908,-2.582;.1331,.8043,-3.8336;-3.8038,.9651,-3.3286;2.7119,1.9023,-.423;3.8969,.6406,-.6928;-1.5563,-2.3605,-.9884;-2.9331,.5678,-1.8526;-2.6751,-1.2897,-2.2217;2.1375,.2243,2.7992;-.5759,-3.1341,-2.2164;.7066,-.5117,1.3961;-1.351,-.3975,-.3709;.6699,1.332,-.5554;-1.0941,1.5392,1.5873;-.3461,.5889,.5859;-2.8552,-3.4501,-.5366;-4.1138,.7839,-.5753;2.2787,1.5838,1.4748;2.168,2.3144,-2.1964;-.0591,3.6799,-3.4094;-1.6884,1.9524,-1.7713;-1.3645,-2.1988,3.2183;1.773,1.1994,4.2084;-.4211,-2.6922,.5335;3.5901,3.3927,-.0897;.7046,-4.016,2.6612;3.8249,-.2432,2.8979;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">41</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">41</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69511715</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00459519</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">0.00126688</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">0.00459519</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00126688</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00718968</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">0.00179506</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.132992"
                                 y3="-2.385262"
                                 z3="2.341998"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.430767"
                                 y3="-1.496916"
                                 z3="3.461054"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.181543"
                                 y3="2.092714"
                                 z3="-2.582601"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.13355"
                                 y3="0.808261"
                                 z3="-3.836327"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.801738"
                                 y3="0.963331"
                                 z3="-3.329455"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.712042"
                                 y3="1.903321"
                                 z3="-0.424147"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.897705"
                                 y3="0.642695"
                                 z3="-0.695998"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.557004"
                                 y3="-2.360255"
                                 z3="-0.985799"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.932237"
                                 y3="0.567057"
                                 z3="-1.852517"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.675042"
                                 y3="-1.292091"
                                 z3="-2.220697"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.137552"
                                 y3="0.222844"
                                 z3="2.798019"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.573636"
                                 y3="-3.131812"
                                 z3="-2.212595"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.7053"
                                 y3="-0.512365"
                                 z3="1.394988"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.349274"
                                 y3="-0.398295"
                                 z3="-0.370251"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.670467"
                                 y3="1.332325"
                                 z3="-0.555992"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.095081"
                                 y3="1.53998"
                                 z3="1.585242"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.346166"
                                 y3="0.589187"
                                 z3="0.585134"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.855468"
                                 y3="-3.451285"
                                 z3="-0.535845"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.112842"
                                 y3="0.786486"
                                 z3="-0.575625"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.281601"
                                 y3="1.581846"
                                 z3="1.474214"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.166307"
                                 y3="2.317579"
                                 z3="-2.19611"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.061714"
                                 y3="3.682546"
                                 z3="-3.407779"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.687889"
                                 y3="1.952198"
                                 z3="-1.771763"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.365743"
                                 y3="-2.196634"
                                 z3="3.217562"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.773484"
                                 y3="1.198848"
                                 z3="4.206783"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.420031"
                                 y3="-2.699407"
                                 z3="0.534082"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.589938"
                                 y3="3.393316"
                                 z3="-0.088432"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.70128"
                                 y3="-4.017394"
                                 z3="2.666248"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.824637"
                                 y3="-0.245919"
                                 z3="2.897308"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.133,-2.3853,2.342;1.4308,-1.4969,3.4611;.1815,2.0927,-2.5826;.1336,.8083,-3.8363;-3.8017,.9633,-3.3295;2.712,1.9033,-.4241;3.8977,.6427,-.696;-1.557,-2.3603,-.9858;-2.9322,.5671,-1.8525;-2.675,-1.2921,-2.2207;2.1376,.2228,2.798;-.5736,-3.1318,-2.2126;.7053,-.5124,1.395;-1.3493,-.3983,-.3703;.6705,1.3323,-.556;-1.0951,1.54,1.5852;-.3462,.5892,.5851;-2.8555,-3.4513,-.5358;-4.1128,.7865,-.5756;2.2816,1.5818,1.4742;2.1663,2.3176,-2.1961;-.0617,3.6825,-3.4078;-1.6879,1.9522,-1.7718;-1.3657,-2.1966,3.2176;1.7735,1.1988,4.2068;-.42,-2.6994,.5341;3.5899,3.3933,-.0884;.7013,-4.0174,2.6662;3.8246,-.2459,2.8973;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">42</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">42</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69516957</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00316654</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">0.00096161</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">0.00316654</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00096161</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01956314</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">0.00537110</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.139767"
                                 y3="-2.385122"
                                 z3="2.335789"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.428104"
                                 y3="-1.492133"
                                 z3="3.462429"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.183022"
                                 y3="2.089881"
                                 z3="-2.582352"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.130616"
                                 y3="0.806854"
                                 z3="-3.837682"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.805169"
                                 y3="0.968586"
                                 z3="-3.328463"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.712362"
                                 y3="1.899766"
                                 z3="-0.422046"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.896573"
                                 y3="0.636347"
                                 z3="-0.686629"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.559213"
                                 y3="-2.360012"
                                 z3="-0.986463"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.932959"
                                 y3="0.568318"
                                 z3="-1.854409"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.674977"
                                 y3="-1.289481"
                                 z3="-2.223364"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.134668"
                                 y3="0.227558"
                                 z3="2.801465"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.587306"
                                 y3="-3.142187"
                                 z3="-2.216034"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.704963"
                                 y3="-0.509586"
                                 z3="1.394384"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.348669"
                                 y3="-0.400354"
                                 z3="-0.370623"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.66852"
                                 y3="1.333444"
                                 z3="-0.554575"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.099782"
                                 y3="1.536775"
                                 z3="1.5861"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.348584"
                                 y3="0.588841"
                                 z3="0.585668"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.860922"
                                 y3="-3.441063"
                                 z3="-0.521943"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.110357"
                                 y3="0.788366"
                                 z3="-0.574886"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.277994"
                                 y3="1.586222"
                                 z3="1.476509"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.168233"
                                 y3="2.306266"
                                 z3="-2.195823"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.055034"
                                 y3="3.681808"
                                 z3="-3.405339"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.687356"
                                 y3="1.952756"
                                 z3="-1.772796"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.361764"
                                 y3="-2.211543"
                                 z3="3.209601"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.767738"
                                 y3="1.204437"
                                 z3="4.208872"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.410721"
                                 y3="-2.694429"
                                 z3="0.526226"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.592588"
                                 y3="3.389512"
                                 z3="-0.091983"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.720843"
                                 y3="-4.013659"
                                 z3="2.655158"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.822123"
                                 y3="-0.23927"
                                 z3="2.903906"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1398,-2.3851,2.3358;1.4281,-1.4921,3.4624;.183,2.0899,-2.5824;.1306,.8069,-3.8377;-3.8052,.9686,-3.3285;2.7124,1.8998,-.422;3.8966,.6363,-.6866;-1.5592,-2.36,-.9865;-2.933,.5683,-1.8544;-2.675,-1.2895,-2.2234;2.1347,.2276,2.8015;-.5873,-3.1422,-2.216;.705,-.5096,1.3944;-1.3487,-.4004,-.3706;.6685,1.3334,-.5546;-1.0998,1.5368,1.5861;-.3486,.5888,.5857;-2.8609,-3.4411,-.5219;-4.1104,.7884,-.5749;2.278,1.5862,1.4765;2.1682,2.3063,-2.1958;-.055,3.6818,-3.4053;-1.6874,1.9528,-1.7728;-1.3618,-2.2115,3.2096;1.7677,1.2044,4.2089;-.4107,-2.6944,.5262;3.5926,3.3895,-.092;.7208,-4.0137,2.6552;3.8221,-.2393,2.9039;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">43</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">43</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69512617</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00400199</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">0.00117655</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">0.00400199</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00117655</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00743954</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">0.00276395</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.138521"
                                 y3="-2.385808"
                                 z3="2.336649"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.422505"
                                 y3="-1.489792"
                                 z3="3.466369"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.18159"
                                 y3="2.090997"
                                 z3="-2.582615"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.125068"
                                 y3="0.812117"
                                 z3="-3.842194"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.807441"
                                 y3="0.96946"
                                 z3="-3.327382"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.713004"
                                 y3="1.896289"
                                 z3="-0.425751"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.898036"
                                 y3="0.633985"
                                 z3="-0.69188"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.555953"
                                 y3="-2.357249"
                                 z3="-0.986052"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.933803"
                                 y3="0.568486"
                                 z3="-1.854563"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.671726"
                                 y3="-1.288646"
                                 z3="-2.225806"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.132666"
                                 y3="0.227492"
                                 z3="2.802953"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.582807"
                                 y3="-3.138585"
                                 z3="-2.215218"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.704162"
                                 y3="-0.509605"
                                 z3="1.394874"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.348812"
                                 y3="-0.399133"
                                 z3="-0.368097"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.668768"
                                 y3="1.333109"
                                 z3="-0.555019"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.09707"
                                 y3="1.538041"
                                 z3="1.587353"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.347916"
                                 y3="0.58923"
                                 z3="0.58627"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.85482"
                                 y3="-3.441151"
                                 z3="-0.519857"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.11069"
                                 y3="0.786358"
                                 z3="-0.574107"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.282033"
                                 y3="1.581646"
                                 z3="1.474167"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.167944"
                                 y3="2.301917"
                                 z3="-2.199365"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.05522"
                                 y3="3.685977"
                                 z3="-3.399934"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.68821"
                                 y3="1.95279"
                                 z3="-1.771619"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.364892"
                                 y3="-2.214542"
                                 z3="3.207626"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.763246"
                                 y3="1.208557"
                                 z3="4.206911"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.406901"
                                 y3="-2.696429"
                                 z3="0.525404"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.592362"
                                 y3="3.386575"
                                 z3="-0.096629"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.722515"
                                 y3="-4.012989"
                                 z3="2.656866"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.819145"
                                 y3="-0.242195"
                                 z3="2.911345"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1385,-2.3858,2.3366;1.4225,-1.4898,3.4664;.1816,2.091,-2.5826;.1251,.8121,-3.8422;-3.8074,.9695,-3.3274;2.713,1.8963,-.4258;3.898,.634,-.6919;-1.556,-2.3572,-.9861;-2.9338,.5685,-1.8546;-2.6717,-1.2886,-2.2258;2.1327,.2275,2.803;-.5828,-3.1386,-2.2152;.7042,-.5096,1.3949;-1.3488,-.3991,-.3681;.6688,1.3331,-.555;-1.0971,1.538,1.5874;-.3479,.5892,.5863;-2.8548,-3.4412,-.5199;-4.1107,.7864,-.5741;2.282,1.5816,1.4742;2.1679,2.3019,-2.1994;-.0552,3.686,-3.3999;-1.6882,1.9528,-1.7716;-1.3649,-2.2145,3.2076;1.7632,1.2086,4.2069;-.4069,-2.6964,.5254;3.5924,3.3866,-.0966;.7225,-4.013,2.6569;3.8191,-.2422,2.9113;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">44</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">44</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69516652</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00348452</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">0.00100855</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">0.00348452</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00100855</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00720970</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">0.00224477</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.138634"
                                 y3="-2.385006"
                                 z3="2.337258"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.418715"
                                 y3="-1.487083"
                                 z3="3.470358"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.181226"
                                 y3="2.091759"
                                 z3="-2.582805"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.120396"
                                 y3="0.8180"
                                 z3="-3.847622"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.809113"
                                 y3="0.967537"
                                 z3="-3.327872"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.713718"
                                 y3="1.893654"
                                 z3="-0.427663"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.900797"
                                 y3="0.63322"
                                 z3="-0.693643"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.554735"
                                 y3="-2.356672"
                                 z3="-0.983876"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.934586"
                                 y3="0.568144"
                                 z3="-1.855204"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.671416"
                                 y3="-1.290016"
                                 z3="-2.225369"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.13224"
                                 y3="0.2273"
                                 z3="2.804824"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.580557"
                                 y3="-3.136173"
                                 z3="-2.213349"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.703465"
                                 y3="-0.509369"
                                 z3="1.395628"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.348515"
                                 y3="-0.398294"
                                 z3="-0.367731"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.669117"
                                 y3="1.333216"
                                 z3="-0.555405"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.096416"
                                 y3="1.539645"
                                 z3="1.587301"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.347752"
                                 y3="0.589528"
                                 z3="0.586888"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.854816"
                                 y3="-3.441365"
                                 z3="-0.523027"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.111439"
                                 y3="0.786331"
                                 z3="-0.574656"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.284873"
                                 y3="1.578199"
                                 z3="1.473202"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.168345"
                                 y3="2.295848"
                                 z3="-2.202221"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.053994"
                                 y3="3.690634"
                                 z3="-3.392724"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.68905"
                                 y3="1.952504"
                                 z3="-1.772325"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.366458"
                                 y3="-2.216413"
                                 z3="3.205672"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.76382"
                                 y3="1.211875"
                                 z3="4.206613"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.403891"
                                 y3="-2.699414"
                                 z3="0.525247"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.589715"
                                 y3="3.386024"
                                 z3="-0.099624"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.725252"
                                 y3="-4.011186"
                                 z3="2.657333"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.817725"
                                 y3="-0.245525"
                                 z3="2.915491"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1386,-2.385,2.3373;1.4187,-1.4871,3.4704;.1812,2.0918,-2.5828;.1204,.818,-3.8476;-3.8091,.9675,-3.3279;2.7137,1.8937,-.4277;3.9008,.6332,-.6936;-1.5547,-2.3567,-.9839;-2.9346,.5681,-1.8552;-2.6714,-1.29,-2.2254;2.1322,.2273,2.8048;-.5806,-3.1362,-2.2133;.7035,-.5094,1.3956;-1.3485,-.3983,-.3677;.6691,1.3332,-.5554;-1.0964,1.5396,1.5873;-.3478,.5895,.5869;-2.8548,-3.4414,-.523;-4.1114,.7863,-.5747;2.2849,1.5782,1.4732;2.1683,2.2958,-2.2022;-.054,3.6906,-3.3927;-1.689,1.9525,-1.7723;-1.3665,-2.2164,3.2057;1.7638,1.2119,4.2066;-.4039,-2.6994,.5252;3.5897,3.386,-.0996;.7253,-4.0112,2.6573;3.8177,-.2455,2.9155;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">45</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">45</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69519961</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00294505</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">0.00080967</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">0.00294505</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00080967</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01208577</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">0.00363128</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.141017"
                                 y3="-2.384216"
                                 z3="2.334705"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.413914"
                                 y3="-1.483381"
                                 z3="3.474108"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.182234"
                                 y3="2.094012"
                                 z3="-2.583031"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.121427"
                                 y3="0.825226"
                                 z3="-3.853026"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.809932"
                                 y3="0.963888"
                                 z3="-3.331507"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.714131"
                                 y3="1.892028"
                                 z3="-0.427508"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.899051"
                                 y3="0.629848"
                                 z3="-0.694983"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.555848"
                                 y3="-2.35864"
                                 z3="-0.981445"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.935453"
                                 y3="0.567287"
                                 z3="-1.858057"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.672086"
                                 y3="-1.291297"
                                 z3="-2.224171"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.131374"
                                 y3="0.228378"
                                 z3="2.807865"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.592169"
                                 y3="-3.14611"
                                 z3="-2.21422"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.702543"
                                 y3="-0.508044"
                                 z3="1.397464"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.348008"
                                 y3="-0.398207"
                                 z3="-0.368535"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.670101"
                                 y3="1.333076"
                                 z3="-0.55518"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.09637"
                                 y3="1.541833"
                                 z3="1.586342"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.347567"
                                 y3="0.589943"
                                 z3="0.587467"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.857769"
                                 y3="-3.436415"
                                 z3="-0.510941"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.112894"
                                 y3="0.785958"
                                 z3="-0.578027"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.286928"
                                 y3="1.576675"
                                 z3="1.474102"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.169687"
                                 y3="2.295559"
                                 z3="-2.202345"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.053449"
                                 y3="3.696183"
                                 z3="-3.385778"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.68947"
                                 y3="1.95106"
                                 z3="-1.775018"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.367217"
                                 y3="-2.224465"
                                 z3="3.199383"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.764832"
                                 y3="1.215758"
                                 z3="4.208101"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.395661"
                                 y3="-2.697282"
                                 z3="0.520695"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.591046"
                                 y3="3.383795"
                                 z3="-0.098907"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.735089"
                                 y3="-4.007935"
                                 z3="2.653316"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.815819"
                                 y3="-0.24762"
                                 z3="2.919831"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.141,-2.3842,2.3347;1.4139,-1.4834,3.4741;.1822,2.094,-2.583;.1214,.8252,-3.853;-3.8099,.9639,-3.3315;2.7141,1.892,-.4275;3.8991,.6298,-.695;-1.5558,-2.3586,-.9814;-2.9355,.5673,-1.8581;-2.6721,-1.2913,-2.2242;2.1314,.2284,2.8079;-.5922,-3.1461,-2.2142;.7025,-.508,1.3975;-1.348,-.3982,-.3685;.6701,1.3331,-.5552;-1.0964,1.5418,1.5863;-.3476,.5899,.5875;-2.8578,-3.4364,-.5109;-4.1129,.786,-.578;2.2869,1.5767,1.4741;2.1697,2.2956,-2.2023;-.0534,3.6962,-3.3858;-1.6895,1.9511,-1.775;-1.3672,-2.2245,3.1994;1.7648,1.2158,4.2081;-.3957,-2.6973,.5207;3.591,3.3838,-.0989;.7351,-4.0079,2.6533;3.8158,-.2476,2.9198;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">46</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">46</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69521171</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00352959</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">0.00090087</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">0.00352959</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00090087</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02162067</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">0.00547559</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.144576"
                                 y3="-2.383379"
                                 z3="2.330681"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.409025"
                                 y3="-1.479126"
                                 z3="3.477235"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.184379"
                                 y3="2.097451"
                                 z3="-2.58277"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.125788"
                                 y3="0.834934"
                                 z3="-3.859287"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.807535"
                                 y3="0.959135"
                                 z3="-3.33792"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.7145"
                                 y3="1.891594"
                                 z3="-0.426082"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.897044"
                                 y3="0.627366"
                                 z3="-0.694574"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.559587"
                                 y3="-2.362844"
                                 z3="-0.978155"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.935769"
                                 y3="0.565733"
                                 z3="-1.862015"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.67392"
                                 y3="-1.293251"
                                 z3="-2.222029"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.130563"
                                 y3="0.230315"
                                 z3="2.810758"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.612931"
                                 y3="-3.164715"
                                 z3="-2.215127"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.702365"
                                 y3="-0.506524"
                                 z3="1.398751"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.347144"
                                 y3="-0.399114"
                                 z3="-0.370957"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.671417"
                                 y3="1.332626"
                                 z3="-0.555039"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.097627"
                                 y3="1.542633"
                                 z3="1.584203"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.347313"
                                 y3="0.589614"
                                 z3="0.587212"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.864423"
                                 y3="-3.428114"
                                 z3="-0.489321"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.115345"
                                 y3="0.785607"
                                 z3="-0.584089"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.287345"
                                 y3="1.5769"
                                 z3="1.47587"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.172058"
                                 y3="2.297728"
                                 z3="-2.200899"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.05284"
                                 y3="3.703563"
                                 z3="-3.376496"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.688957"
                                 y3="1.948514"
                                 z3="-1.778074"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.367177"
                                 y3="-2.234983"
                                 z3="3.191335"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.767324"
                                 y3="1.219452"
                                 z3="4.210562"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.385842"
                                 y3="-2.693688"
                                 z3="0.514285"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.593263"
                                 y3="3.382134"
                                 z3="-0.096267"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.747975"
                                 y3="-4.004106"
                                 z3="2.646956"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.814088"
                                 y3="-0.248555"
                                 z3="2.921952"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1446,-2.3834,2.3307;1.409,-1.4791,3.4772;.1844,2.0975,-2.5828;.1258,.8349,-3.8593;-3.8075,.9591,-3.3379;2.7145,1.8916,-.4261;3.897,.6274,-.6946;-1.5596,-2.3628,-.9782;-2.9358,.5657,-1.862;-2.6739,-1.2933,-2.222;2.1306,.2303,2.8108;-.6129,-3.1647,-2.2151;.7024,-.5065,1.3988;-1.3471,-.3991,-.371;.6714,1.3326,-.555;-1.0976,1.5426,1.5842;-.3473,.5896,.5872;-2.8644,-3.4281,-.4893;-4.1153,.7856,-.5841;2.2873,1.5769,1.4759;2.1721,2.2977,-2.2009;-.0528,3.7036,-3.3765;-1.689,1.9485,-1.7781;-1.3672,-2.235,3.1913;1.7673,1.2195,4.2106;-.3858,-2.6937,.5143;3.5933,3.3821,-.0963;.748,-4.0041,2.647;3.8141,-.2486,2.922;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</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">-9.69521302</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00466793</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">0.00117150</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">0.00466793</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00117150</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00415945</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">0.00108336</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.144587"
                                 y3="-2.384326"
                                 z3="2.330214"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.408145"
                                 y3="-1.479244"
                                 z3="3.477619"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.184471"
                                 y3="2.0970"
                                 z3="-2.583316"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.125203"
                                 y3="0.833677"
                                 z3="-3.859004"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.809327"
                                 y3="0.959247"
                                 z3="-3.336041"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.714768"
                                 y3="1.891181"
                                 z3="-0.426653"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.897535"
                                 y3="0.627137"
                                 z3="-0.695108"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.55883"
                                 y3="-2.361153"
                                 z3="-0.977308"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.936051"
                                 y3="0.566556"
                                 z3="-1.860834"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.674684"
                                 y3="-1.293048"
                                 z3="-2.22084"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.129391"
                                 y3="0.230174"
                                 z3="2.811206"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.611195"
                                 y3="-3.160556"
                                 z3="-2.215034"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.702131"
                                 y3="-0.506761"
                                 z3="1.39856"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.346456"
                                 y3="-0.398199"
                                 z3="-0.37042"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.671791"
                                 y3="1.332747"
                                 z3="-0.555405"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.097084"
                                 y3="1.542798"
                                 z3="1.583492"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.346623"
                                 y3="0.589723"
                                 z3="0.586631"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.862761"
                                 y3="-3.42815"
                                 z3="-0.489834"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.114574"
                                 y3="0.787171"
                                 z3="-0.582054"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.286495"
                                 y3="1.57626"
                                 z3="1.475422"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.172628"
                                 y3="2.296922"
                                 z3="-2.202217"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.052976"
                                 y3="3.702671"
                                 z3="-3.377881"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.688687"
                                 y3="1.948711"
                                 z3="-1.778335"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.367774"
                                 y3="-2.235176"
                                 z3="3.189699"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.764625"
                                 y3="1.219509"
                                 z3="4.210442"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.383376"
                                 y3="-2.697376"
                                 z3="0.513015"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.593018"
                                 y3="3.382051"
                                 z3="-0.096857"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.747837"
                                 y3="-4.004914"
                                 z3="2.647726"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.813071"
                                 y3="-0.247733"
                                 z3="2.923814"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1446,-2.3843,2.3302;1.4081,-1.4792,3.4776;.1845,2.097,-2.5833;.1252,.8337,-3.859;-3.8093,.9592,-3.336;2.7148,1.8912,-.4267;3.8975,.6271,-.6951;-1.5588,-2.3612,-.9773;-2.9361,.5666,-1.8608;-2.6747,-1.293,-2.2208;2.1294,.2302,2.8112;-.6112,-3.1606,-2.215;.7021,-.5068,1.3986;-1.3465,-.3982,-.3704;.6718,1.3327,-.5554;-1.0971,1.5428,1.5835;-.3466,.5897,.5866;-2.8628,-3.4282,-.4898;-4.1146,.7872,-.5821;2.2865,1.5763,1.4754;2.1726,2.2969,-2.2022;-.053,3.7027,-3.3779;-1.6887,1.9487,-1.7783;-1.3678,-2.2352,3.1897;1.7646,1.2195,4.2104;-.3834,-2.6974,.513;3.593,3.3821,-.0969;.7478,-4.0049,2.6477;3.8131,-.2477,2.9238;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</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">-9.69523469</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00386490</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">0.00094334</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">0.00386490</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00094334</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01533271</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">0.00314718</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.143733"
                                 y3="-2.386177"
                                 z3="2.331792"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.409285"
                                 y3="-1.481188"
                                 z3="3.477219"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.183956"
                                 y3="2.094923"
                                 z3="-2.584475"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.123261"
                                 y3="0.828876"
                                 z3="-3.857092"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.812191"
                                 y3="0.960368"
                                 z3="-3.331922"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.714269"
                                 y3="1.889825"
                                 z3="-0.427942"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.899058"
                                 y3="0.627222"
                                 z3="-0.695264"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.556421"
                                 y3="-2.357048"
                                 z3="-0.977383"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.936646"
                                 y3="0.568434"
                                 z3="-1.857739"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.675934"
                                 y3="-1.292279"
                                 z3="-2.219627"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.128119"
                                 y3="0.229453"
                                 z3="2.810491"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.599721"
                                 y3="-3.145223"
                                 z3="-2.21524"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.700813"
                                 y3="-0.506837"
                                 z3="1.3997"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.347665"
                                 y3="-0.396317"
                                 z3="-0.367577"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.671207"
                                 y3="1.332158"
                                 z3="-0.555587"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.096147"
                                 y3="1.545399"
                                 z3="1.583417"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.347142"
                                 y3="0.590801"
                                 z3="0.586816"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.857384"
                                 y3="-3.43291"
                                 z3="-0.50032"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.113482"
                                 y3="0.790139"
                                 z3="-0.577686"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.286028"
                                 y3="1.575104"
                                 z3="1.4740"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.172612"
                                 y3="2.29334"
                                 z3="-2.204765"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.051682"
                                 y3="3.698853"
                                 z3="-3.382915"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.688642"
                                 y3="1.949736"
                                 z3="-1.778551"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.367642"
                                 y3="-2.233819"
                                 z3="3.192355"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.760797"
                                 y3="1.218801"
                                 z3="4.209092"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.385159"
                                 y3="-2.70248"
                                 z3="0.514835"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.590909"
                                 y3="3.38185"
                                 z3="-0.099036"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.744725"
                                 y3="-4.007522"
                                 z3="2.649397"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.812389"
                                 y3="-0.24658"
                                 z3="2.924707"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1437,-2.3862,2.3318;1.4093,-1.4812,3.4772;.184,2.0949,-2.5845;.1233,.8289,-3.8571;-3.8122,.9604,-3.3319;2.7143,1.8898,-.4279;3.8991,.6272,-.6953;-1.5564,-2.357,-.9774;-2.9366,.5684,-1.8577;-2.6759,-1.2923,-2.2196;2.1281,.2295,2.8105;-.5997,-3.1452,-2.2152;.7008,-.5068,1.3997;-1.3477,-.3963,-.3676;.6712,1.3322,-.5556;-1.0961,1.5454,1.5834;-.3471,.5908,.5868;-2.8574,-3.4329,-.5003;-4.1135,.7901,-.5777;2.286,1.5751,1.474;2.1726,2.2933,-2.2048;-.0517,3.6989,-3.3829;-1.6886,1.9497,-1.7786;-1.3676,-2.2338,3.1924;1.7608,1.2188,4.2091;-.3852,-2.7025,.5148;3.5909,3.3819,-.099;.7447,-4.0075,2.6494;3.8124,-.2466,2.9247;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</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">-9.69525940</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00240011</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">0.00052913</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">0.00240011</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00052913</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00342596</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">0.00111948</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.144501"
                                 y3="-2.386541"
                                 z3="2.330864"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.407532"
                                 y3="-1.480359"
                                 z3="3.477799"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.184551"
                                 y3="2.09527"
                                 z3="-2.584907"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.12444"
                                 y3="0.829876"
                                 z3="-3.858084"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.813334"
                                 y3="0.959818"
                                 z3="-3.330803"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.714095"
                                 y3="1.888971"
                                 z3="-0.427991"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.899018"
                                 y3="0.626234"
                                 z3="-0.694387"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.556024"
                                 y3="-2.357116"
                                 z3="-0.976943"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.937015"
                                 y3="0.568608"
                                 z3="-1.856883"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.677302"
                                 y3="-1.292193"
                                 z3="-2.217826"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.126771"
                                 y3="0.230152"
                                 z3="2.811039"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.602144"
                                 y3="-3.146181"
                                 z3="-2.216507"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.700431"
                                 y3="-0.506594"
                                 z3="1.399828"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.347675"
                                 y3="-0.396128"
                                 z3="-0.367463"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.671272"
                                 y3="1.331966"
                                 z3="-0.555721"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.095667"
                                 y3="1.546323"
                                 z3="1.582713"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.347127"
                                 y3="0.591088"
                                 z3="0.586364"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.856666"
                                 y3="-3.431991"
                                 z3="-0.496894"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.113001"
                                 y3="0.791157"
                                 z3="-0.576218"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.285772"
                                 y3="1.575037"
                                 z3="1.473862"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.173431"
                                 y3="2.292418"
                                 z3="-2.205216"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.0504"
                                 y3="3.699525"
                                 z3="-3.382741"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.688251"
                                 y3="1.949241"
                                 z3="-1.779459"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.367828"
                                 y3="-2.237018"
                                 z3="3.190209"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.758755"
                                 y3="1.220335"
                                 z3="4.208886"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.381901"
                                 y3="-2.70255"
                                 z3="0.512894"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.590996"
                                 y3="3.380981"
                                 z3="-0.099581"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.747114"
                                 y3="-4.007482"
                                 z3="2.647327"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.810956"
                                 y3="-0.245946"
                                 z3="2.926536"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1445,-2.3865,2.3309;1.4075,-1.4804,3.4778;.1846,2.0953,-2.5849;.1244,.8299,-3.8581;-3.8133,.9598,-3.3308;2.7141,1.889,-.428;3.899,.6262,-.6944;-1.556,-2.3571,-.9769;-2.937,.5686,-1.8569;-2.6773,-1.2922,-2.2178;2.1268,.2302,2.811;-.6021,-3.1462,-2.2165;.7004,-.5066,1.3998;-1.3477,-.3961,-.3675;.6713,1.332,-.5557;-1.0957,1.5463,1.5827;-.3471,.5911,.5864;-2.8567,-3.432,-.4969;-4.113,.7912,-.5762;2.2858,1.575,1.4739;2.1734,2.2924,-2.2052;-.0504,3.6995,-3.3827;-1.6883,1.9492,-1.7795;-1.3678,-2.237,3.1902;1.7588,1.2203,4.2089;-.3819,-2.7026,.5129;3.591,3.381,-.0996;.7471,-4.0075,2.6473;3.811,-.2459,2.9265;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</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">-9.69526143</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00209268</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">0.00050459</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">0.00209268</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00050459</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00744485</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">0.00258622</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.146597"
                                 y3="-2.387384"
                                 z3="2.328642"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.405101"
                                 y3="-1.479472"
                                 z3="3.478193"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.186616"
                                 y3="2.094874"
                                 z3="-2.586319"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.128402"
                                 y3="0.830841"
                                 z3="-3.860626"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.816104"
                                 y3="0.958252"
                                 z3="-3.327885"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.713405"
                                 y3="1.886715"
                                 z3="-0.427346"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.90029"
                                 y3="0.624831"
                                 z3="-0.689863"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.5563"
                                 y3="-2.35739"
                                 z3="-0.976669"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.938403"
                                 y3="0.569443"
                                 z3="-1.85404"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.683287"
                                 y3="-1.292972"
                                 z3="-2.213038"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.124538"
                                 y3="0.231373"
                                 z3="2.811873"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.605293"
                                 y3="-3.143528"
                                 z3="-2.220404"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.698434"
                                 y3="-0.505029"
                                 z3="1.402017"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.349471"
                                 y3="-0.395674"
                                 z3="-0.366365"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.670853"
                                 y3="1.331245"
                                 z3="-0.555623"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.096378"
                                 y3="1.550158"
                                 z3="1.581102"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.348876"
                                 y3="0.592572"
                                 z3="0.586211"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.853755"
                                 y3="-3.434536"
                                 z3="-0.493208"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.112219"
                                 y3="0.79684"
                                 z3="-0.572249"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.285357"
                                 y3="1.57526"
                                 z3="1.473893"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.175501"
                                 y3="2.28799"
                                 z3="-2.20649"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.045462"
                                 y3="3.699728"
                                 z3="-3.383513"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.68704"
                                 y3="1.947865"
                                 z3="-1.783361"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.367296"
                                 y3="-2.244462"
                                 z3="3.186311"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.756223"
                                 y3="1.222689"
                                 z3="4.208819"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.377787"
                                 y3="-2.701926"
                                 z3="0.509261"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.588984"
                                 y3="3.38002"
                                 z3="-0.100806"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.754004"
                                 y3="-4.006796"
                                 z3="2.643765"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.808664"
                                 y3="-0.244627"
                                 z3="2.92842"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1466,-2.3874,2.3286;1.4051,-1.4795,3.4782;.1866,2.0949,-2.5863;.1284,.8308,-3.8606;-3.8161,.9583,-3.3279;2.7134,1.8867,-.4273;3.9003,.6248,-.6899;-1.5563,-2.3574,-.9767;-2.9384,.5694,-1.854;-2.6833,-1.293,-2.213;2.1245,.2314,2.8119;-.6053,-3.1435,-2.2204;.6984,-.505,1.402;-1.3495,-.3957,-.3664;.6709,1.3312,-.5556;-1.0964,1.5502,1.5811;-.3489,.5926,.5862;-2.8538,-3.4345,-.4932;-4.1122,.7968,-.5722;2.2854,1.5753,1.4739;2.1755,2.288,-2.2065;-.0455,3.6997,-3.3835;-1.687,1.9479,-1.7834;-1.3673,-2.2445,3.1863;1.7562,1.2227,4.2088;-.3778,-2.7019,.5093;3.589,3.38,-.1008;.754,-4.0068,2.6438;3.8087,-.2446,2.9284;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">51</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">51</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69526821</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00178645</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">0.00049121</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">0.00178645</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00049121</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00442693</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">0.00166942</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.148144"
                                 y3="-2.387815"
                                 z3="2.326682"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.403242"
                                 y3="-1.478593"
                                 z3="3.478792"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.187772"
                                 y3="2.094453"
                                 z3="-2.587203"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.130913"
                                 y3="0.830466"
                                 z3="-3.861575"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.818279"
                                 y3="0.957976"
                                 z3="-3.325754"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.713274"
                                 y3="1.885811"
                                 z3="-0.426852"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.899906"
                                 y3="0.623397"
                                 z3="-0.688018"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.55645"
                                 y3="-2.357608"
                                 z3="-0.976576"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.939169"
                                 y3="0.56983"
                                 z3="-1.852557"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.685966"
                                 y3="-1.292875"
                                 z3="-2.210534"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.123021"
                                 y3="0.232412"
                                 z3="2.812891"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.608983"
                                 y3="-3.144305"
                                 z3="-2.222702"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.697749"
                                 y3="-0.504173"
                                 z3="1.402532"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.3498"
                                 y3="-0.395578"
                                 z3="-0.366059"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.670808"
                                 y3="1.33128"
                                 z3="-0.555685"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.096642"
                                 y3="1.551271"
                                 z3="1.580421"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.349351"
                                 y3="0.59324"
                                 z3="0.585789"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.85268"
                                 y3="-3.434317"
                                 z3="-0.489082"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.111153"
                                 y3="0.799813"
                                 z3="-0.569545"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.284956"
                                 y3="1.575814"
                                 z3="1.474366"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.176506"
                                 y3="2.28656"
                                 z3="-2.20664"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.043501"
                                 y3="3.699226"
                                 z3="-3.384814"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.68627"
                                 y3="1.946931"
                                 z3="-1.785418"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.367076"
                                 y3="-2.248889"
                                 z3="3.182662"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.753547"
                                 y3="1.224122"
                                 z3="4.209216"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.373708"
                                 y3="-2.700944"
                                 z3="0.506067"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.589138"
                                 y3="3.379132"
                                 z3="-0.101066"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.758219"
                                 y3="-4.006503"
                                 z3="2.640453"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.807134"
                                 y3="-0.243233"
                                 z3="2.930909"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1481,-2.3878,2.3267;1.4032,-1.4786,3.4788;.1878,2.0945,-2.5872;.1309,.8305,-3.8616;-3.8183,.958,-3.3258;2.7133,1.8858,-.4269;3.8999,.6234,-.688;-1.5564,-2.3576,-.9766;-2.9392,.5698,-1.8526;-2.686,-1.2929,-2.2105;2.123,.2324,2.8129;-.609,-3.1443,-2.2227;.6977,-.5042,1.4025;-1.3498,-.3956,-.3661;.6708,1.3313,-.5557;-1.0966,1.5513,1.5804;-.3494,.5932,.5858;-2.8527,-3.4343,-.4891;-4.1112,.7998,-.5695;2.285,1.5758,1.4744;2.1765,2.2866,-2.2066;-.0435,3.6992,-3.3848;-1.6863,1.9469,-1.7854;-1.3671,-2.2489,3.1827;1.7535,1.2241,4.2092;-.3737,-2.7009,.5061;3.5891,3.3791,-.1011;.7582,-4.0065,2.6405;3.8071,-.2432,2.9309;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">52</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">52</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69526523</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00180988</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">0.00051184</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">0.00180988</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00051184</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00516721</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">0.00165849</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.14973"
                                 y3="-2.388089"
                                 z3="2.324495"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.401514"
                                 y3="-1.477618"
                                 z3="3.479299"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.188957"
                                 y3="2.094076"
                                 z3="-2.587929"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.133526"
                                 y3="0.830038"
                                 z3="-3.862359"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.820068"
                                 y3="0.957869"
                                 z3="-3.324056"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.713425"
                                 y3="1.885468"
                                 z3="-0.426198"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.899557"
                                 y3="0.622433"
                                 z3="-0.686423"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.55712"
                                 y3="-2.358134"
                                 z3="-0.976295"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.939783"
                                 y3="0.569974"
                                 z3="-1.851501"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.688258"
                                 y3="-1.292851"
                                 z3="-2.208409"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.121712"
                                 y3="0.233486"
                                 z3="2.813902"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.613892"
                                 y3="-3.146865"
                                 z3="-2.224366"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.697717"
                                 y3="-0.503696"
                                 z3="1.402254"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.349611"
                                 y3="-0.39582"
                                 z3="-0.366188"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.670908"
                                 y3="1.331712"
                                 z3="-0.555846"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.096896"
                                 y3="1.551282"
                                 z3="1.580025"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.349431"
                                 y3="0.593554"
                                 z3="0.585273"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.852767"
                                 y3="-3.433159"
                                 z3="-0.483915"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.110082"
                                 y3="0.802455"
                                 z3="-0.567375"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.284352"
                                 y3="1.576654"
                                 z3="1.475078"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.177363"
                                 y3="2.285926"
                                 z3="-2.206275"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.042233"
                                 y3="3.698773"
                                 z3="-3.385861"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.685466"
                                 y3="1.945908"
                                 z3="-1.787305"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.366858"
                                 y3="-2.252586"
                                 z3="3.178589"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.750995"
                                 y3="1.225293"
                                 z3="4.209785"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.369546"
                                 y3="-2.699863"
                                 z3="0.502723"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.589646"
                                 y3="3.378662"
                                 z3="-0.100836"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.762118"
                                 y3="-4.006166"
                                 z3="2.637069"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.805789"
                                 y3="-0.241814"
                                 z3="2.933347"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1497,-2.3881,2.3245;1.4015,-1.4776,3.4793;.189,2.0941,-2.5879;.1335,.83,-3.8624;-3.8201,.9579,-3.3241;2.7134,1.8855,-.4262;3.8996,.6224,-.6864;-1.5571,-2.3581,-.9763;-2.9398,.57,-1.8515;-2.6883,-1.2929,-2.2084;2.1217,.2335,2.8139;-.6139,-3.1469,-2.2244;.6977,-.5037,1.4023;-1.3496,-.3958,-.3662;.6709,1.3317,-.5558;-1.0969,1.5513,1.58;-.3494,.5936,.5853;-2.8528,-3.4332,-.4839;-4.1101,.8025,-.5674;2.2844,1.5767,1.4751;2.1774,2.2859,-2.2063;-.0422,3.6988,-3.3859;-1.6855,1.9459,-1.7873;-1.3669,-2.2526,3.1786;1.751,1.2253,4.2098;-.3695,-2.6999,.5027;3.5896,3.3787,-.1008;.7621,-4.0062,2.6371;3.8058,-.2418,2.9333;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">53</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">53</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69522901</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00209373</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">0.00053753</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">0.00209373</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00053753</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00347419</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">0.00100095</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.150638"
                                 y3="-2.388421"
                                 z3="2.323287"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.40025"
                                 y3="-1.476929"
                                 z3="3.47973"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.189411"
                                 y3="2.094082"
                                 z3="-2.588348"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.134472"
                                 y3="0.830108"
                                 z3="-3.862882"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.820969"
                                 y3="0.957902"
                                 z3="-3.323208"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.713514"
                                 y3="1.885108"
                                 z3="-0.426006"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.899139"
                                 y3="0.621532"
                                 z3="-0.685809"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.557259"
                                 y3="-2.358172"
                                 z3="-0.975905"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.940002"
                                 y3="0.570103"
                                 z3="-1.851052"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.688999"
                                 y3="-1.292672"
                                 z3="-2.207394"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.120745"
                                 y3="0.234157"
                                 z3="2.814531"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.61669"
                                 y3="-3.148476"
                                 z3="-2.225008"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.697743"
                                 y3="-0.503568"
                                 z3="1.401983"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.349214"
                                 y3="-0.3959"
                                 z3="-0.366186"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.670957"
                                 y3="1.331928"
                                 z3="-0.556056"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.096739"
                                 y3="1.551196"
                                 z3="1.579782"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.349247"
                                 y3="0.593672"
                                 z3="0.584856"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.852851"
                                 y3="-3.431756"
                                 z3="-0.480441"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.1094"
                                 y3="0.803569"
                                 z3="-0.566271"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.283904"
                                 y3="1.577025"
                                 z3="1.475336"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.177652"
                                 y3="2.285497"
                                 z3="-2.206005"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.041762"
                                 y3="3.698782"
                                 z3="-3.386325"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.685081"
                                 y3="1.945569"
                                 z3="-1.788074"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.366822"
                                 y3="-2.254938"
                                 z3="3.176154"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.749062"
                                 y3="1.226203"
                                 z3="4.209966"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.366605"
                                 y3="-2.699779"
                                 z3="0.500689"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.590254"
                                 y3="3.37805"
                                 z3="-0.100883"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.764394"
                                 y3="-4.006132"
                                 z3="2.63513"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.804808"
                                 y3="-0.240841"
                                 z3="2.93511"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1506,-2.3884,2.3233;1.4002,-1.4769,3.4797;.1894,2.0941,-2.5883;.1345,.8301,-3.8629;-3.821,.9579,-3.3232;2.7135,1.8851,-.426;3.8991,.6215,-.6858;-1.5573,-2.3582,-.9759;-2.94,.5701,-1.8511;-2.689,-1.2927,-2.2074;2.1207,.2342,2.8145;-.6167,-3.1485,-2.225;.6977,-.5036,1.402;-1.3492,-.3959,-.3662;.671,1.3319,-.5561;-1.0967,1.5512,1.5798;-.3492,.5937,.5849;-2.8529,-3.4318,-.4804;-4.1094,.8036,-.5663;2.2839,1.577,1.4753;2.1777,2.2855,-2.206;-.0418,3.6988,-3.3863;-1.6851,1.9456,-1.7881;-1.3668,-2.2549,3.1762;1.7491,1.2262,4.21;-.3666,-2.6998,.5007;3.5903,3.378,-.1009;.7644,-4.0061,2.6351;3.8048,-.2408,2.9351;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</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">-9.69524152</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00208373</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">0.00052676</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">0.00208373</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00052676</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00514111</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">0.00169843</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.148977"
                                 y3="-2.388576"
                                 z3="2.325109"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.399714"
                                 y3="-1.476748"
                                 z3="3.480066"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.188508"
                                 y3="2.094559"
                                 z3="-2.588016"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.130566"
                                 y3="0.832169"
                                 z3="-3.864108"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.820048"
                                 y3="0.958278"
                                 z3="-3.323056"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.71402"
                                 y3="1.884773"
                                 z3="-0.42745"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.902052"
                                 y3="0.623363"
                                 z3="-0.686679"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.556304"
                                 y3="-2.357185"
                                 z3="-0.975563"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.939495"
                                 y3="0.570153"
                                 z3="-1.850764"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.687586"
                                 y3="-1.292699"
                                 z3="-2.208138"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.12077"
                                 y3="0.233517"
                                 z3="2.813659"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.611548"
                                 y3="-3.144537"
                                 z3="-2.223323"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.698233"
                                 y3="-0.505009"
                                 z3="1.400937"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.348687"
                                 y3="-0.395397"
                                 z3="-0.366154"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.671115"
                                 y3="1.3319"
                                 z3="-0.556597"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.095177"
                                 y3="1.549566"
                                 z3="1.580558"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.348221"
                                 y3="0.592904"
                                 z3="0.58443"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.851715"
                                 y3="-3.433361"
                                 z3="-0.484936"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.109562"
                                 y3="0.802499"
                                 z3="-0.566385"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.283895"
                                 y3="1.575761"
                                 z3="1.473858"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.177274"
                                 y3="2.282435"
                                 z3="-2.207391"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.041947"
                                 y3="3.70054"
                                 z3="-3.383571"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.68535"
                                 y3="1.946382"
                                 z3="-1.78641"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.368057"
                                 y3="-2.251552"
                                 z3="3.178182"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.749187"
                                 y3="1.22626"
                                 z3="4.208662"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.368862"
                                 y3="-2.704136"
                                 z3="0.502832"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.588101"
                                 y3="3.379331"
                                 z3="-0.102816"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.760757"
                                 y3="-4.006578"
                                 z3="2.639234"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.804689"
                                 y3="-0.241713"
                                 z3="2.93453"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.149,-2.3886,2.3251;1.3997,-1.4767,3.4801;.1885,2.0946,-2.588;.1306,.8322,-3.8641;-3.82,.9583,-3.3231;2.714,1.8848,-.4274;3.9021,.6234,-.6867;-1.5563,-2.3572,-.9756;-2.9395,.5702,-1.8508;-2.6876,-1.2927,-2.2081;2.1208,.2335,2.8137;-.6115,-3.1445,-2.2233;.6982,-.505,1.4009;-1.3487,-.3954,-.3662;.6711,1.3319,-.5566;-1.0952,1.5496,1.5806;-.3482,.5929,.5844;-2.8517,-3.4334,-.4849;-4.1096,.8025,-.5664;2.2839,1.5758,1.4739;2.1773,2.2824,-2.2074;-.0419,3.7005,-3.3836;-1.6853,1.9464,-1.7864;-1.3681,-2.2516,3.1782;1.7492,1.2263,4.2087;-.3689,-2.7041,.5028;3.5881,3.3793,-.1028;.7608,-4.0066,2.6392;3.8047,-.2417,2.9345;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</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">-9.69522942</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00117308</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">0.00034173</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">0.00117308</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00034173</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00704011</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">0.00223748</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.146382"
                                 y3="-2.388563"
                                 z3="2.326774"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.398561"
                                 y3="-1.477499"
                                 z3="3.480511"/>
                           <atom elementType="Ta"
                                 id="a3"
                                 x3="0.18901"
                                 y3="2.094707"
                                 z3="-2.588836"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.132189"
                                 y3="0.833044"
                                 z3="-3.865685"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.821288"
                                 y3="0.957277"
                                 z3="-3.318869"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.714956"
                                 y3="1.885997"
                                 z3="-0.428758"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.905083"
                                 y3="0.626768"
                                 z3="-0.689135"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.555448"
                                 y3="-2.357143"
                                 z3="-0.975676"/>
                           <atom elementType="W"
                                 id="a9"
                                 x3="-2.939687"
                                 y3="0.569658"
                                 z3="-1.84694"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.689894"
                                 y3="-1.294325"
                                 z3="-2.205953"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.120273"
                                 y3="0.232498"
                                 z3="2.812523"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.606136"
                                 y3="-3.138914"
                                 z3="-2.223261"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.698713"
                                 y3="-0.506306"
                                 z3="1.399823"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.348506"
                                 y3="-0.394938"
                                 z3="-0.366213"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.672687"
                                 y3="1.331135"
                                 z3="-0.55809"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.093099"
                                 y3="1.549429"
                                 z3="1.579381"/>
                           <atom elementType="Si"
                                 id="a17"
                                 x3="-0.346906"
                                 y3="0.592819"
                                 z3="0.582795"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.84825"
                                 y3="-3.439082"
                                 z3="-0.49059"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.108697"
                                 y3="0.804188"
                                 z3="-0.56195"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.284886"
                                 y3="1.574562"
                                 z3="1.472765"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.177597"
                                 y3="2.283629"
                                 z3="-2.208915"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.04298"
                                 y3="3.700815"
                                 z3="-3.383913"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.684241"
                                 y3="1.94497"
                                 z3="-1.786332"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.37079"
                                 y3="-2.245936"
                                 z3="3.178693"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.747918"
                                 y3="1.224939"
                                 z3="4.207573"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.370697"
                                 y3="-2.707528"
                                 z3="0.50403"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.585976"
                                 y3="3.381965"
                                 z3="-0.102637"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.753717"
                                 y3="-4.007777"
                                 z3="2.643375"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.803969"
                                 y3="-0.243489"
                                 z3="2.93421"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                        </bondArray>
                        <formula concise="O22SiTaW5"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1480.2201999999986</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1464,-2.3886,2.3268;1.3986,-1.4775,3.4805;.189,2.0947,-2.5888;.1322,.833,-3.8657;-3.8213,.9573,-3.3189;2.715,1.886,-.4288;3.9051,.6268,-.6891;-1.5554,-2.3571,-.9757;-2.9397,.5697,-1.8469;-2.6899,-1.2943,-2.206;2.1203,.2325,2.8125;-.6061,-3.1389,-2.2233;.6987,-.5063,1.3998;-1.3485,-.3949,-.3662;.6727,1.3311,-.5581;-1.0931,1.5494,1.5794;-.3469,.5928,.5828;-2.8483,-3.4391,-.4906;-4.1087,.8042,-.5619;2.2849,1.5746,1.4728;2.1776,2.2836,-2.2089;-.043,3.7008,-3.3839;-1.6842,1.945,-1.7863;-1.3708,-2.2459,3.1787;1.7479,1.2249,4.2076;-.3707,-2.7075,.504;3.586,3.382,-.1026;.7537,-4.0078,2.6434;3.804,-.2435,2.9342;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</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>
                        <scalar dataType="xsd:string" dictRef="x:converged">CONVERGED</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.69524815</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00063769</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00020464</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">0.00063769</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00020464</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00322498</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">0.00142746</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="adf">
                  <module cmlx:templateRef="adf.runtype">
                     <module cmlx:templateRef="symmetry">
                        <scalar dataType="xsd:string" dictRef="a:symmetry">NOSYM</scalar>
                        <scalar dataType="xsd:integer" dictRef="a:charge">-5</scalar>
                     </module>
                  </module>
                  <module cmlx:templateRef="adf.frequencyanalysis">
                     <module cmlx:templateRef="masses">
                        <array dataType="xsd:string" dictRef="cc:elementType" size="29">W O Ta O O W O W W O W O O O O O Si O O O O O O O O O O O O</array>
                        <array dataType="xsd:double" dictRef="cc:atomicmass" size="29">183.95093200 15.99491400 180.94799600 15.99491400 15.99491400 183.95093200 15.99491400 183.95093200 183.95093200 15.99491400 183.95093200 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 27.97692600 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400</array>
                     </module>
                     <module cmlx:templateRef="thermochemistry">
                        <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.000000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.150000</scalar>
                        <array dataType="xsd:double" dictRef="cc:moi" size="3">30420.1290 36951.1556 58623.1244</array>
                        <scalar dataType="xsd:integer" dictRef="cc:symmnumber">1</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:pointgroup">NOSYM</scalar>
                        <module cmlx:templateRef="energies">
                           <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                           <list cmlx:templateRef="entropy">
                              <scalar dataType="xsd:double"
                                      dictRef="cc:transl"
                                      units="nonsi2:cal.mol-1.K-1">47.751</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:rotat"
                                      units="nonsi2:cal.mol-1.K-1">39.418</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:vibrat"
                                      units="nonsi2:cal.mol-1.K-1">124.399</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:total"
                                      units="nonsi2:cal.mol-1.K-1">211.569</scalar>
                           </list>
                           <list cmlx:templateRef="internalEnergy">
                              <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi2:kcal.mol-1">0.889</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi2:kcal.mol-1">0.889</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi2:kcal.mol-1">64.751</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi2:kcal.mol-1">66.528</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">107.911</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:total"
                                      units="nonsi2:cal.mol-1.K-1">113.872</scalar>
                           </list>
                        </module>
                     </module>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">13920.92</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">372.22</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">14726.08</scalar>
               </property>
               <property dictRef="cc:zeropoint">
                  <scalar dataType="xsd:double"
                          dictRef="cc:zeropoint"
                          units="nonsi:electronvolt">1.995385</scalar>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                     <array dataType="xsd:double" dictRef="cc:frequency" size="81">-22.494 -13.573 7.316 17.918 23.729 36.110 39.799 45.683 51.370 53.656 68.047 74.613 77.949 91.744 135.811 138.829 145.605 151.101 154.194 156.912 161.149 164.963 180.436 183.581 194.214 200.648 206.543 210.580 214.274 226.375 228.584 231.777 238.773 248.146 276.447 290.614 297.912 305.797 309.078 313.512 316.243 318.667 321.192 325.702 331.837 334.170 339.532 347.717 372.224 389.607 404.470 414.388 424.651 456.692 511.967 516.944 525.473 549.927 563.639 603.638 661.301 670.701 731.880 752.000 762.950 771.109 786.221 789.461 814.151 854.907 862.667 863.662 864.418 866.395 874.799 924.168 925.661 930.059 937.988 948.018 1072.742</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="29">W O Ta O O W O W W O W O O O O O Si O O O O O O O O O O O O</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="7047">-0.009 -0.022 0.010 0.367 -0.276 -0.225 0.011 -0.014 -0.012 0.060 -0.018 -0.011 -0.009 -0.052 -0.035 -0.030 0.020 0.032 -0.031 0.012 0.065 0.035 0.029 0.023 -0.021 -0.015 -0.018 -0.010 -0.021 0.024 0.054 -0.046 -0.038 0.021 0.044 0.003 -0.185 0.162 0.168 -0.044 0.023 0.039 -0.017 -0.003 0.001 -0.175 0.249 -0.176 -0.096 0.112 0.017 0.077 0.004 0.074 -0.034 0.024 -0.036 -0.052 0.042 0.039 0.003 0.010 0.022 0.012 -0.019 -0.021 -0.007 -0.029 -0.060 0.032 0.356 0.016 -0.094 -0.212 0.037 0.119 0.045 -0.024 -0.031 0.020 0.036 -0.408 -0.153 0.124 0.113 0.138 -0.060 -0.024 -0.030 -0.004 -0.066 -0.014 0.030 0.051 -0.094 -0.065 0.066 -0.182 0.022 -0.007 0.041 0.038 -0.013 0.164 0.030 0.331 0.478 0.077 -0.066 -0.008 0.024 0.013 0.029 0.023 -0.067 0.016 0.044 0.022 -0.066 -0.009 -0.123 -0.052 0.009 0.039 -0.067 -0.030 0.022 -0.004 -0.011 0.064 -0.056 -0.027 0.099 -0.024 0.001 0.059 -0.036 -0.018 -0.089 0.039 0.066 0.053 0.091 0.048 0.031 -0.062 0.002 0.031 -0.016 -0.028 0.043 -0.158 -0.193 0.064 -0.015 -0.030 -0.030 -0.057 -0.008 0.112 -0.053 0.008 -0.045 -0.028 -0.001 -0.429 0.388 0.102 0.003 -0.022 -0.021 0.002 -0.146 -0.066 -0.163 0.060 0.102 -0.173 0.075 0.099 -0.045 0.100 0.032 -0.038 0.184 -0.051 0.041 -0.052 0.006 0.024 0.044 -0.053 0.073 0.114 -0.170 0.073 -0.049 -0.018 0.035 -0.065 0.006 0.113 -0.045 -0.050 0.055 -0.079 -0.057 0.199 0.018 0.037 0.062 -0.073 -0.056 0.036 -0.047 0.002 0.040 -0.044 -0.038 0.102 -0.053 0.014 0.061 -0.048 -0.023 0.063 -0.106 -0.165 0.010 -0.151 -0.001 0.093 -0.095 -0.067 -0.042 0.137 -0.013 -0.124 0.146 0.146 -0.017 -0.019 0.072 -0.206 0.246 -0.006 0.289 0.004 -0.050 -0.072 -0.062 0.095 -0.026 0.058 0.015 -0.301 0.044 0.281 0.000 -0.299 -0.189 0.038 -0.035 0.005 0.083 -0.039 -0.044 0.035 0.137 0.008 0.171 0.259 -0.116 0.093 -0.084 -0.127 0.025 0.051 0.014 -0.043 0.005 -0.067 -0.139 -0.077 0.098 0.038 -0.062 -0.089 0.020 -0.074 -0.046 0.007 -0.003 -0.028 -0.328 -0.394 0.150 0.005 -0.029 -0.018 0.026 -0.048 -0.065 0.043 -0.062 -0.066 0.006 -0.022 -0.096 0.025 -0.039 -0.066 -0.273 0.194 0.336 -0.003 -0.041 -0.130 -0.037 0.018 -0.011 0.015 0.241 0.066 -0.056 0.199 0.157 0.027 -0.056 -0.062 0.074 -0.032 0.070 -0.040 -0.031 -0.021 -0.049 -0.038 0.033 0.123 -0.024 0.107 0.048 -0.035 -0.019 0.026 0.064 -0.025 0.026 0.008 0.040 0.074 -0.009 0.001 -0.095 -0.032 0.071 -0.330 -0.161 0.203 0.278 0.057 -0.247 -0.055 -0.016 0.010 -0.010 0.011 0.078 -0.018 0.038 -0.001 0.082 0.037 -0.137 0.171 0.046 -0.149 0.081 -0.023 -0.004 0.011 -0.106 0.108 0.007 0.011 0.021 0.008 0.049 -0.030 -0.087 0.145 0.138 -0.119 -0.117 0.155 -0.054 0.008 0.084 -0.121 0.155 -0.017 -0.119 -0.107 -0.296 0.016 0.020 0.036 -0.062 -0.200 -0.034 0.013 -0.084 -0.065 -0.062 0.167 0.171 0.084 -0.034 0.153 0.186 -0.050 0.044 -0.123 0.042 0.083 -0.128 0.047 -0.091 0.072 0.009 -0.045 0.079 -0.056 -0.119 -0.035 0.065 -0.118 -0.096 0.038 -0.035 -0.021 -0.018 0.043 -0.080 -0.150 0.172 0.082 -0.045 0.046 0.012 0.016 0.023 -0.071 -0.066 0.038 0.002 -0.053 -0.012 0.065 -0.021 0.066 -0.049 -0.060 0.070 0.001 0.020 -0.006 -0.251 -0.251 -0.081 0.103 0.044 -0.104 0.124 0.009 -0.126 -0.043 0.235 0.116 -0.120 -0.179 0.101 0.003 0.017 0.006 0.022 0.076 0.315 0.045 -0.019 0.044 0.053 0.073 0.049 -0.006 -0.037 0.013 0.006 -0.087 -0.106 -0.012 0.062 0.075 -0.156 0.226 -0.364 0.017 -0.008 0.019 0.278 0.033 -0.203 0.104 -0.023 -0.051 -0.214 0.033 0.066 -0.021 -0.051 -0.001 0.003 0.025 -0.001 -0.150 0.106 0.104 0.028 -0.017 -0.032 0.259 -0.100 0.043 -0.145 -0.053 -0.019 -0.034 0.018 0.079 -0.233 -0.154 0.019 0.024 0.037 0.022 -0.076 -0.017 -0.052 -0.015 -0.001 -0.002 0.044 -0.025 -0.012 -0.007 0.038 -0.004 -0.033 0.046 0.037 -0.032 0.015 0.036 -0.053 0.049 0.027 -0.061 0.026 0.020 -0.044 0.036 0.022 0.036 0.044 0.067 -0.014 0.023 -0.001 -0.091 0.080 0.071 -0.027 0.208 0.121 -0.035 -0.097 -0.177 -0.026 -0.067 -0.160 -0.046 -0.153 -0.057 0.442 -0.041 0.111 0.081 0.035 -0.028 0.214 -0.131 0.112 0.152 0.073 -0.047 -0.001 -0.264 -0.381 0.008 0.007 -0.031 -0.118 0.053 0.070 0.011 -0.008 0.017 -0.115 0.238 -0.221 -0.161 -0.002 0.009 0.006 -0.053 -0.016 0.208 0.101 0.148 0.060 0.049 0.043 -0.073 -0.023 -0.052 0.105 0.030 -0.066 -0.003 -0.006 0.024 -0.102 -0.095 0.004 -0.040 0.060 0.056 -0.017 -0.001 0.087 -0.013 -0.003 0.001 -0.006 0.113 -0.021 -0.026 0.046 0.030 0.003 0.206 0.227 -0.014 -0.100 0.019 0.030 -0.038 -0.002 0.070 -0.349 -0.098 0.137 0.176 0.361 -0.034 -0.067 -0.063 -0.086 -0.063 -0.188 0.116 0.037 0.027 0.235 0.015 -0.101 -0.250 0.110 -0.099 0.035 0.026 0.013 -0.034 -0.130 -0.038 -0.001 0.047 -0.010 0.018 0.051 -0.031 0.045 0.009 0.019 -0.067 0.154 -0.124 0.177 -0.110 -0.066 -0.015 -0.019 0.042 0.045 -0.008 0.261 -0.073 -0.082 -0.030 0.036 -0.011 0.048 -0.266 -0.120 0.190 0.020 0.037 -0.044 0.050 0.128 -0.061 -0.076 0.067 0.008 -0.030 0.010 -0.111 -0.032 0.033 0.008 -0.175 -0.006 -0.082 -0.084 0.022 -0.040 0.107 -0.341 -0.113 -0.045 0.217 -0.071 -0.135 0.135 0.039 0.087 -0.250 -0.035 0.158 0.134 0.241 0.035 -0.002 -0.010 0.041 -0.032 0.079 0.213 -0.026 0.053 -0.101 0.057 0.020 -0.093 0.045 -0.050 0.084 0.064 -0.085 0.021 -0.010 -0.284 -0.001 -0.032 -0.009 -0.121 0.012 0.080 -0.037 0.028 0.000 -0.072 -0.049 0.077 0.330 -0.059 -0.169 0.010 -0.006 -0.054 0.035 0.046 -0.189 0.027 -0.002 0.051 0.055 0.016 0.016 -0.120 -0.059 0.178 -0.039 -0.030 0.025 -0.025 0.076 -0.037 -0.197 0.114 0.173 -0.104 0.040 0.091 0.058 -0.133 -0.058 -0.016 0.322 -0.187 -0.055 0.103 -0.007 0.164 -0.114 0.162 -0.148 0.181 -0.203 0.089 -0.125 -0.052 -0.050 0.134 -0.009 -0.116 -0.026 -0.093 0.037 0.038 0.131 -0.077 -0.221 -0.112 0.028 0.054 -0.016 0.217 0.070 -0.084 -0.014 -0.008 0.025 0.105 -0.006 -0.073 -0.074 -0.161 0.040 -0.015 -0.053 0.043 -0.027 -0.015 0.005 0.012 0.060 -0.113 -0.095 0.037 -0.084 -0.041 0.063 0.251 -0.114 -0.038 -0.007 -0.140 -0.087 0.109 0.045 0.001 -0.018 0.167 0.017 0.122 0.298 0.070 -0.171 -0.068 0.007 -0.035 -0.007 -0.251 0.097 -0.160 0.073 0.101 0.045 0.019 -0.024 -0.037 -0.000 -0.051 -0.109 0.161 -0.127 -0.050 0.083 -0.005 -0.108 0.218 0.043 0.274 -0.182 0.255 -0.185 0.067 0.011 -0.002 -0.078 -0.064 0.068 0.044 -0.158 0.069 0.119 0.019 -0.001 -0.175 0.089 0.086 -0.047 0.048 -0.013 0.015 0.035 -0.117 -0.031 -0.020 0.063 -0.037 -0.034 -0.068 -0.046 -0.254 -0.037 0.058 -0.017 0.021 0.014 -0.026 -0.004 -0.065 0.108 0.035 -0.102 0.141 -0.134 0.032 0.123 0.115 0.036 -0.012 0.134 0.070 -0.081 -0.044 -0.005 -0.093 -0.019 -0.061 0.036 0.110 -0.003 -0.206 0.023 0.011 0.005 -0.013 -0.161 0.027 -0.258 0.181 0.174 -0.008 0.014 -0.116 0.069 -0.032 0.009 -0.268 0.270 -0.334 -0.124 0.112 -0.073 -0.123 0.097 -0.082 0.026 -0.284 0.119 0.105 -0.042 -0.036 0.025 0.063 0.037 -0.031 -0.079 0.080 -0.047 -0.030 0.048 0.031 -0.149 0.140 0.038 0.056 -0.027 -0.145 0.103 0.011 0.124 0.022 0.017 0.137 0.085 -0.205 0.012 -0.030 0.031 0.007 -0.105 0.026 -0.051 0.022 -0.070 0.019 -0.096 0.134 -0.060 -0.094 0.130 0.115 0.124 -0.039 0.088 0.067 0.007 0.013 -0.029 0.156 0.038 0.036 0.048 -0.007 0.026 0.006 0.091 0.062 -0.024 -0.159 0.078 -0.216 0.014 0.039 0.026 0.037 -0.077 -0.126 -0.093 -0.021 0.166 0.068 -0.158 -0.077 0.230 0.062 0.057 0.041 -0.011 -0.015 -0.013 0.088 0.018 -0.101 -0.046 -0.062 -0.226 0.265 -0.054 0.065 0.004 0.018 -0.015 -0.063 0.198 0.029 -0.021 0.200 -0.025 -0.029 -0.042 -0.039 -0.029 -0.102 0.065 -0.096 0.004 0.224 0.000 -0.043 -0.073 -0.110 0.135 -0.158 0.036 -0.467 0.016 0.090 -0.078 0.055 0.036 -0.002 -0.000 -0.049 0.004 -0.004 0.017 -0.061 0.148 0.156 -0.018 -0.068 -0.045 0.039 -0.039 -0.011 0.022 -0.026 -0.032 -0.037 0.016 0.014 0.021 0.149 0.070 -0.123 0.042 0.025 0.055 -0.041 -0.066 -0.030 0.043 -0.063 -0.005 -0.202 -0.100 0.259 0.090 -0.458 -0.196 0.317 0.190 -0.082 0.039 -0.086 -0.023 -0.099 0.039 -0.085 -0.089 -0.079 -0.054 -0.155 0.020 0.019 -0.037 0.131 0.051 -0.162 -0.022 0.097 0.086 -0.072 0.204 0.004 0.211 -0.122 0.132 0.011 0.091 0.002 -0.069 -0.062 -0.097 -0.043 0.129 -0.013 0.094 0.025 0.072 0.114 -0.071 0.053 -0.012 0.017 0.023 0.026 0.031 -0.023 0.131 0.060 -0.060 -0.185 0.393 -0.263 -0.007 0.057 0.041 -0.097 0.004 0.267 0.092 0.084 0.008 -0.084 -0.011 -0.055 0.051 -0.057 -0.034 0.014 0.047 -0.028 0.039 0.006 -0.049 -0.080 -0.055 -0.028 -0.017 0.036 0.037 -0.066 -0.043 0.063 -0.152 -0.077 0.026 0.079 -0.192 0.014 -0.058 -0.071 0.010 -0.092 -0.027 0.086 0.033 0.064 -0.104 -0.013 -0.024 0.037 -0.034 0.023 0.197 -0.062 -0.422 -0.107 0.137 -0.102 0.035 0.133 -0.048 0.122 0.063 0.036 0.033 -0.094 0.000 -0.222 0.028 0.117 -0.030 -0.013 0.192 -0.023 0.020 -0.174 -0.015 0.096 -0.071 0.033 -0.040 -0.051 0.011 0.084 -0.005 0.078 -0.076 0.162 0.033 -0.295 -0.013 0.028 -0.053 0.039 0.156 0.047 0.105 -0.038 0.068 0.065 0.024 -0.120 0.040 0.109 -0.059 -0.060 -0.036 -0.065 -0.076 0.141 0.159 0.146 0.034 -0.029 -0.109 -0.226 0.117 0.224 -0.056 0.046 0.018 0.274 0.098 0.283 -0.014 0.095 0.068 0.018 -0.048 -0.034 -0.081 -0.225 -0.031 -0.022 -0.025 -0.025 0.022 -0.093 0.027 0.136 -0.022 -0.266 -0.052 -0.006 -0.074 0.027 0.000 0.033 -0.185 -0.082 -0.107 -0.057 0.119 -0.005 -0.115 0.025 0.040 0.074 0.083 -0.309 -0.012 0.032 0.006 0.015 -0.053 -0.020 0.013 -0.041 -0.003 -0.165 -0.002 -0.135 -0.473 0.078 -0.201 -0.034 -0.041 0.034 0.157 0.038 0.089 0.108 -0.024 0.198 -0.061 0.068 0.008 0.038 -0.067 -0.019 -0.129 -0.064 -0.005 -0.024 0.027 0.099 0.022 0.210 -0.012 0.052 -0.003 0.021 0.075 0.044 -0.116 0.119 -0.120 -0.100 0.164 0.067 -0.110 0.142 0.012 -0.078 0.005 -0.038 -0.031 0.081 -0.178 0.032 -0.011 0.117 0.102 -0.046 -0.084 0.075 -0.018 0.028 -0.098 -0.044 0.059 -0.004 0.011 0.078 -0.053 0.178 -0.111 0.257 -0.037 0.033 0.002 0.312 -0.018 -0.047 -0.127 -0.100 0.025 -0.044 -0.063 -0.115 0.002 0.119 0.078 0.075 -0.057 0.066 -0.081 -0.020 -0.073 -0.109 0.078 -0.163 0.104 -0.089 -0.094 0.068 -0.018 0.087 0.110 0.013 0.119 0.125 -0.045 -0.068 -0.076 0.074 0.051 0.023 0.035 0.067 -0.037 -0.095 -0.063 -0.093 -0.394 -0.035 0.032 -0.069 -0.009 0.038 0.025 -0.130 0.045 -0.145 -0.071 0.000 -0.154 -0.021 0.034 -0.056 -0.085 0.049 0.194 0.233 -0.219 0.259 -0.109 -0.106 -0.019 -0.007 -0.044 0.012 0.102 -0.008 0.007 -0.023 -0.065 0.077 -0.013 0.080 -0.027 0.254 -0.225 -0.111 -0.107 0.029 0.159 0.011 0.067 -0.031 0.156 0.124 0.113 -0.209 0.004 0.051 -0.014 -0.025 -0.058 -0.012 -0.017 -0.010 -0.046 0.010 0.023 -0.040 -0.028 0.016 -0.024 0.025 -0.222 -0.079 0.034 0.069 0.002 -0.076 -0.040 0.055 0.002 -0.118 -0.037 -0.064 0.052 0.042 0.293 0.086 -0.056 0.031 0.037 0.034 0.008 -0.276 0.068 -0.013 0.060 0.033 -0.198 0.006 0.309 -0.075 0.145 0.065 0.199 0.240 0.154 -0.049 0.083 0.097 -0.095 -0.050 -0.179 -0.236 0.092 -0.114 0.166 0.076 0.051 0.012 -0.143 -0.040 0.206 0.017 -0.103 -0.085 0.068 -0.088 -0.027 -0.062 -0.018 0.061 -0.021 0.082 -0.042 -0.091 0.000 0.198 0.031 -0.256 -0.049 -0.056 0.045 -0.002 -0.061 0.089 0.020 0.093 -0.032 0.002 -0.029 0.043 -0.031 -0.049 0.027 -0.310 -0.007 -0.021 -0.354 0.119 0.141 -0.020 0.070 0.023 -0.180 -0.066 -0.023 -0.002 -0.107 0.097 0.060 0.073 -0.114 0.064 0.030 0.061 -0.027 -0.099 -0.034 0.080 0.044 0.075 -0.049 0.021 0.028 0.007 -0.039 0.113 -0.031 -0.001 -0.020 0.130 0.213 -0.023 -0.042 0.054 0.001 0.069 -0.272 -0.072 0.422 0.087 0.194 0.022 -0.044 -0.010 -0.021 -0.004 0.007 0.100 0.037 0.164 -0.028 0.121 -0.082 0.002 0.016 -0.045 -0.189 -0.096 -0.086 0.039 -0.059 -0.007 0.179 -0.028 -0.025 0.133 0.123 -0.098 -0.020 -0.066 0.093 0.121 0.045 -0.013 -0.004 0.014 0.088 0.017 0.019 -0.074 0.078 0.057 -0.112 0.130 0.326 0.007 0.056 -0.016 0.032 0.122 0.064 -0.064 -0.024 -0.039 0.037 -0.025 0.019 0.019 0.094 0.077 -0.088 -0.088 -0.051 -0.011 0.039 0.073 0.020 -0.080 0.080 0.042 -0.066 -0.102 0.114 -0.076 0.159 0.143 -0.376 -0.141 0.052 -0.158 0.055 0.022 -0.107 -0.048 -0.200 -0.131 -0.155 -0.037 0.129 -0.051 -0.011 -0.039 -0.036 0.022 -0.200 -0.017 -0.077 0.115 -0.122 0.183 0.114 0.265 -0.080 -0.006 0.029 -0.042 -0.021 -0.137 0.022 0.013 0.021 -0.055 0.021 0.047 0.222 -0.131 -0.222 -0.070 -0.110 -0.035 -0.015 -0.078 0.104 -0.068 -0.005 0.050 -0.050 -0.125 -0.010 0.021 0.046 0.308 0.031 0.021 -0.008 0.082 0.017 -0.051 0.265 0.021 -0.019 0.063 -0.028 0.004 -0.009 -0.017 0.031 0.004 0.128 0.017 -0.075 0.012 0.113 -0.023 -0.009 -0.003 -0.041 -0.005 -0.148 0.092 0.026 -0.041 -0.001 -0.209 -0.027 -0.174 -0.018 -0.021 -0.038 -0.001 -0.026 -0.003 -0.061 -0.151 -0.009 -0.016 0.106 0.024 0.008 -0.083 0.027 -0.076 -0.022 -0.180 0.091 -0.091 0.171 -0.189 -0.321 -0.099 -0.167 0.092 -0.224 0.077 -0.203 -0.013 0.027 0.013 -0.019 0.185 0.108 0.100 0.179 0.244 0.219 0.039 -0.036 -0.019 -0.087 0.138 0.068 -0.056 -0.048 0.001 0.010 0.035 -0.094 -0.012 -0.398 -0.038 0.007 -0.008 0.051 0.039 0.042 -0.073 -0.032 0.047 -0.019 0.049 0.008 0.031 0.102 0.012 -0.042 0.029 -0.021 -0.037 0.026 0.046 0.027 -0.060 -0.016 -0.018 -0.088 0.037 0.021 -0.092 -0.030 -0.020 -0.157 0.012 -0.046 -0.054 0.014 0.031 -0.098 0.091 -0.106 0.036 0.168 -0.012 -0.078 -0.111 -0.095 -0.058 0.076 0.112 0.194 0.035 0.104 -0.116 0.153 -0.192 -0.035 0.080 -0.188 -0.005 0.302 -0.282 -0.021 -0.119 0.030 0.013 -0.051 0.244 0.086 0.057 0.388 0.058 0.084 0.068 0.072 0.022 0.034 -0.113 0.071 0.130 0.055 0.022 0.020 -0.168 -0.051 0.107 0.110 0.011 -0.039 -0.074 0.065 -0.007 -0.283 -0.156 0.142 -0.013 0.037 -0.029 -0.044 -0.038 0.035 -0.122 -0.024 0.021 -0.006 -0.081 -0.006 -0.081 0.062 -0.094 0.057 -0.029 -0.068 0.124 0.015 -0.161 0.095 -0.040 -0.101 0.113 0.162 -0.289 0.099 -0.005 -0.122 -0.037 0.073 -0.013 -0.224 -0.257 -0.081 0.024 -0.013 0.027 0.082 -0.101 -0.095 0.371 0.027 -0.072 -0.013 0.001 0.061 0.051 0.122 -0.027 -0.118 -0.036 -0.073 -0.041 -0.031 0.032 0.085 0.012 -0.124 0.085 0.064 0.228 -0.043 -0.179 0.174 0.041 -0.017 0.055 -0.084 0.065 0.055 0.003 0.018 0.001 0.010 -0.028 0.041 -0.083 -0.047 0.017 -0.013 -0.041 0.076 0.008 -0.053 0.196 -0.030 0.012 -0.094 0.020 -0.032 -0.033 -0.098 -0.060 0.007 0.018 0.007 -0.060 -0.157 -0.081 -0.133 0.031 0.075 -0.006 -0.018 0.064 0.032 0.015 0.112 0.072 0.276 0.288 0.055 -0.001 0.090 0.032 0.026 0.013 0.025 0.183 0.191 0.069 0.203 0.074 0.062 -0.022 -0.068 0.000 -0.568 -0.046 0.032 0.043 -0.115 0.005 0.048 0.029 0.054 -0.080 0.101 -0.160 -0.010 0.085 -0.005 -0.098 0.053 -0.134 -0.024 -0.023 0.144 -0.045 -0.183 0.153 0.034 -0.007 0.083 -0.034 -0.017 0.087 -0.015 -0.006 -0.013 0.026 0.062 -0.083 -0.029 0.220 0.068 -0.013 0.006 0.034 -0.020 0.032 -0.116 -0.039 -0.014 -0.043 0.018 -0.004 -0.017 -0.036 -0.007 -0.073 0.028 0.046 -0.048 -0.130 0.041 -0.148 0.003 0.030 0.107 -0.247 0.005 0.105 -0.013 -0.242 0.022 -0.024 -0.127 0.154 -0.096 -0.091 0.058 0.129 -0.143 0.110 0.019 -0.219 0.014 0.142 0.023 0.021 -0.072 0.045 0.094 0.399 0.030 -0.056 0.010 0.045 0.008 -0.032 -0.024 -0.036 -0.001 0.186 -0.163 0.153 0.293 -0.104 0.029 -0.012 0.024 -0.233 -0.167 -0.205 -0.030 -0.129 0.105 -0.032 0.023 0.025 0.136 -0.040 -0.014 0.026 0.027 0.001 -0.141 -0.030 0.063 -0.030 -0.006 0.029 0.023 0.038 -0.026 0.009 0.053 -0.112 0.007 0.025 -0.063 0.026 -0.057 -0.016 -0.115 -0.040 0.020 -0.023 -0.041 0.034 -0.308 0.098 -0.354 -0.124 -0.044 0.108 -0.186 -0.092 0.237 -0.072 -0.108 0.014 -0.033 -0.106 0.227 -0.086 -0.015 0.092 -0.006 0.118 0.076 0.126 0.117 0.041 -0.087 -0.037 -0.064 -0.012 -0.059 -0.026 0.094 0.019 -0.053 0.064 -0.096 0.014 0.038 -0.038 0.162 0.008 -0.087 0.075 0.085 -0.165 -0.044 0.130 0.011 -0.189 0.232 0.175 0.270 0.059 0.211 -0.134 0.017 0.008 -0.005 -0.053 0.022 0.042 0.000 0.025 0.028 0.093 -0.017 0.075 -0.064 -0.193 0.004 -0.006 0.017 -0.001 -0.015 0.002 0.087 -0.010 0.037 0.006 0.016 0.004 0.008 0.091 -0.003 -0.085 0.004 -0.014 0.001 0.204 0.008 0.176 0.067 -0.020 -0.012 -0.180 -0.088 0.063 0.050 -0.387 -0.082 -0.265 -0.227 -0.176 -0.041 -0.166 -0.054 -0.031 0.066 0.037 0.095 0.270 0.028 0.086 0.142 0.067 -0.049 -0.070 -0.012 -0.108 -0.021 -0.056 -0.003 -0.012 -0.041 -0.036 0.022 -0.098 -0.065 -0.133 0.060 0.011 0.097 0.014 0.064 0.078 -0.468 -0.019 -0.017 -0.042 -0.034 -0.114 0.084 -0.003 -0.026 -0.025 0.038 0.004 0.021 0.133 0.024 -0.025 -0.623 -0.070 0.096 -0.107 -0.080 0.019 -0.004 0.023 0.024 -0.059 0.006 -0.091 -0.015 0.021 -0.028 -0.039 0.002 0.001 0.007 -0.058 -0.025 -0.014 -0.019 0.025 0.217 -0.143 0.244 -0.015 -0.009 0.019 -0.090 -0.020 0.041 -0.024 -0.011 -0.033 -0.058 -0.114 0.046 -0.031 -0.037 -0.011 0.147 -0.074 0.197 -0.055 0.005 -0.013 -0.039 -0.111 -0.097 0.071 0.029 -0.067 -0.197 -0.004 0.013 0.021 -0.071 0.063 0.047 0.068 0.045 0.139 0.321 -0.173 -0.012 0.119 0.035 0.069 -0.037 0.104 -0.088 -0.069 -0.054 0.025 0.099 -0.073 -0.015 -0.022 -0.021 0.050 0.026 0.008 -0.036 -0.006 0.003 0.353 0.022 -0.047 0.028 0.227 0.036 0.005 -0.004 0.023 0.021 0.019 -0.044 -0.043 0.017 -0.048 0.003 0.033 -0.007 -0.044 -0.061 -0.023 -0.018 -0.053 0.025 0.198 -0.184 0.271 -0.017 -0.001 0.026 0.031 0.067 -0.086 -0.031 0.016 -0.025 0.138 0.061 0.058 0.033 0.030 0.005 0.304 -0.234 0.293 -0.029 -0.176 -0.012 -0.053 -0.015 -0.055 -0.076 -0.058 0.018 0.046 0.010 0.000 -0.064 0.075 0.000 -0.001 -0.002 0.001 0.016 0.069 -0.052 0.024 0.105 0.040 0.021 0.065 -0.310 0.157 0.102 0.298 0.071 0.214 -0.124 0.014 0.013 0.057 -0.021 0.017 0.012 0.063 -0.014 -0.016 -0.160 0.012 -0.031 -0.120 -0.290 -0.019 0.009 -0.024 -0.019 0.069 0.055 -0.103 -0.058 -0.000 -0.021 0.005 0.066 0.003 0.115 0.047 -0.032 0.020 0.017 -0.024 -0.061 0.057 -0.050 0.055 0.048 0.016 -0.018 0.057 -0.028 0.015 -0.013 -0.002 -0.053 -0.070 0.033 -0.008 -0.015 0.013 0.102 -0.178 0.017 -0.128 -0.358 -0.041 0.004 0.104 0.066 0.031 0.116 -0.010 -0.224 -0.026 0.068 -0.080 0.148 -0.041 -0.137 -0.151 -0.174 -0.210 -0.425 0.230 0.140 0.133 -0.045 -0.057 -0.030 0.121 0.133 0.092 0.228 0.024 0.015 -0.019 0.020 0.015 0.041 0.040 -0.061 0.155 0.000 0.008 0.005 0.205 -0.010 0.023 -0.035 -0.174 -0.032 0.016 0.040 -0.043 -0.026 -0.078 0.368 -0.010 -0.023 0.020 0.016 0.044 0.001 0.084 0.071 0.007 -0.008 -0.063 0.042 -0.165 0.136 -0.194 -0.066 -0.055 0.135 0.049 0.021 -0.037 -0.018 -0.017 -0.051 -0.004 -0.065 0.027 0.026 -0.020 0.006 -0.052 -0.044 -0.112 -0.064 -0.224 -0.015 -0.217 -0.119 -0.111 0.066 -0.120 -0.096 -0.300 -0.030 0.006 -0.060 0.109 -0.048 -0.080 -0.027 -0.144 0.099 0.277 -0.179 0.075 0.051 -0.051 0.102 0.013 -0.132 -0.141 -0.093 -0.214 0.078 0.225 -0.074 0.044 0.007 0.045 -0.055 0.010 0.103 -0.034 0.014 0.001 0.005 -0.025 0.051 0.066 0.293 0.046 0.024 0.040 -0.107 0.011 -0.064 0.373 -0.033 0.012 -0.045 -0.012 -0.053 0.001 -0.020 -0.055 -0.122 0.025 -0.014 0.006 0.153 -0.162 0.205 -0.041 -0.004 0.050 -0.156 0.035 0.069 -0.052 0.073 -0.017 -0.004 -0.021 0.107 -0.036 0.019 0.040 0.017 -0.029 -0.021 0.076 0.286 0.015 -0.199 -0.068 -0.032 0.134 -0.048 -0.089 0.026 0.004 -0.032 0.056 -0.124 -0.019 -0.149 -0.059 -0.284 -0.088 -0.188 0.102 0.009 0.143 -0.002 0.070 -0.101 0.400 0.003 -0.012 0.088 0.038 0.020 0.074 0.036 0.022 0.056 0.028 -0.025 0.124 0.021 0.004 0.002 -0.117 -0.002 0.005 0.052 0.072 -0.016 -0.007 -0.023 0.057 -0.003 0.062 -0.368 -0.002 -0.005 0.000 -0.024 -0.039 0.003 -0.063 -0.021 0.006 -0.004 -0.021 -0.002 0.031 -0.060 0.062 -0.014 0.026 0.095 0.148 0.042 -0.141 0.040 0.049 0.056 0.110 0.071 0.029 0.028 0.044 -0.005 -0.193 0.101 -0.266 0.019 0.162 0.014 0.016 0.035 0.011 -0.072 0.008 0.046 0.076 0.008 -0.019 0.034 -0.086 0.034 -0.253 -0.167 -0.437 -0.073 -0.037 -0.019 -0.038 0.068 0.026 -0.039 0.064 -0.237 -0.084 -0.052 -0.114 0.106 0.320 -0.225 -0.017 0.011 -0.031 0.216 -0.146 -0.108 0.014 -0.003 0.028 -0.038 0.227 -0.171 -0.023 -0.112 -0.032 -0.003 0.011 -0.020 -0.086 -0.109 0.170 0.004 0.007 0.001 -0.013 0.007 -0.009 -0.119 -0.022 0.105 -0.008 0.029 -0.023 0.074 -0.089 0.118 -0.229 0.042 0.314 0.220 0.043 -0.177 0.165 -0.302 0.071 0.085 -0.105 0.295 -0.016 0.000 0.115 -0.066 0.043 -0.109 0.018 -0.051 0.024 0.130 -0.006 0.010 -0.005 0.052 -0.000 0.012 -0.142 -0.215 0.015 0.008 0.105 -0.072 -0.009 -0.110 0.004 0.095 -0.062 -0.026 -0.052 0.008 -0.058 0.039 0.042 0.143 0.088 0.111 -0.067 -0.191 0.040 -0.011 0.007 0.007 0.015 -0.021 0.034 -0.018 -0.009 0.049 -0.009 0.270 -0.197 0.014 -0.107 -0.033 0.013 0.011 -0.009 -0.148 -0.143 -0.057 -0.056 -0.003 -0.015 -0.017 -0.009 -0.001 0.325 0.077 -0.202 -0.010 -0.011 0.022 0.006 0.169 -0.066 0.173 0.016 0.003 0.130 -0.114 0.103 0.094 0.141 0.115 -0.035 0.027 -0.186 0.134 -0.036 0.012 0.069 -0.111 0.118 0.056 0.201 0.025 0.105 -0.016 0.029 0.031 -0.095 -0.041 0.060 -0.178 -0.279 0.062 -0.139 0.159 0.041 -0.054 0.112 -0.148 0.080 -0.062 0.165 0.075 -0.069 -0.127 0.074 0.138 -0.016 0.017 0.017 0.036 0.049 -0.272 -0.020 0.020 0.001 0.270 -0.175 -0.166 -0.014 0.014 -0.053 0.023 -0.331 0.267 0.071 0.068 -0.010 0.002 -0.003 0.016 -0.062 -0.074 0.044 -0.029 -0.004 0.024 -0.019 -0.020 0.017 0.217 0.049 -0.180 -0.015 0.012 0.009 -0.018 0.073 0.009 0.001 0.065 0.090 0.084 0.015 -0.125 0.034 -0.013 -0.077 0.090 -0.143 0.023 0.073 -0.034 -0.083 -0.046 -0.068 -0.150 -0.024 0.146 -0.005 0.114 -0.038 -0.013 -0.016 0.021 0.008 0.039 0.216 0.305 -0.006 -0.028 -0.082 -0.005 -0.194 0.069 0.003 0.136 -0.064 0.284 0.145 -0.134 -0.068 0.043 0.013 0.039 0.091 0.192 -0.060 -0.166 -0.045 0.003 0.008 -0.002 0.017 -0.011 0.063 -0.027 0.012 -0.051 0.126 -0.217 0.153 -0.040 -0.185 -0.038 0.008 0.007 -0.016 -0.027 -0.037 0.037 -0.009 -0.004 -0.053 0.004 0.033 -0.020 -0.187 -0.009 0.219 0.025 0.014 0.032 0.163 0.001 0.048 0.103 0.055 0.127 0.097 -0.187 0.263 0.028 -0.013 0.047 -0.072 0.027 -0.016 0.060 0.000 0.107 -0.046 0.127 0.159 0.046 -0.168 0.036 0.075 0.025 0.039 -0.031 -0.040 -0.009 0.087 0.159 0.207 0.105 -0.079 0.165 -0.047 -0.017 -0.080 -0.371 0.069 -0.095 -0.150 -0.127 0.089 -0.014 -0.000 0.096 -0.034 -0.024 -0.090 0.019 -0.160 -0.348 0.009 0.013 0.042 0.187 -0.111 -0.103 -0.007 0.007 -0.006 0.095 -0.017 0.020 0.002 -0.056 -0.018 -0.001 0.016 0.029 -0.061 -0.002 -0.129 -0.016 -0.058 -0.035 0.000 0.022 0.003 0.025 -0.004 -0.045 -0.030 0.018 -0.037 0.314 0.355 -0.067 -0.116 -0.074 -0.022 -0.063 -0.076 -0.067 -0.059 0.088 0.034 0.154 0.028 -0.041 -0.055 -0.083 -0.087 -0.120 0.239 0.408 0.013 -0.020 0.021 0.106 -0.096 -0.040 0.025 -0.279 -0.050 -0.050 0.005 -0.003 -0.002 0.011 0.065 -0.132 0.001 -0.190 0.271 -0.046 0.083 -0.063 -0.067 0.023 0.038 -0.025 0.135 0.104 0.028 -0.040 -0.052 0.049 0.208 0.003 -0.009 0.013 -0.021 0.011 0.017 -0.016 -0.001 -0.024 0.014 -0.087 0.048 -0.072 -0.061 0.024 0.084 0.009 -0.006 -0.344 -0.435 0.025 0.014 0.025 0.002 0.010 0.008 -0.006 -0.048 -0.001 0.034 -0.033 -0.015 -0.019 -0.111 -0.133 0.006 -0.022 -0.047 -0.070 -0.142 0.027 0.093 0.088 0.002 0.050 -0.086 -0.032 -0.031 -0.027 -0.008 -0.014 0.094 -0.077 -0.041 -0.003 -0.040 -0.018 0.180 -0.021 -0.007 -0.027 0.119 0.059 0.051 0.068 0.103 0.058 -0.020 0.053 -0.044 0.098 -0.084 0.228 -0.067 0.084 -0.098 -0.039 0.057 -0.445 0.323 0.051 0.070 -0.004 -0.073 0.019 0.233 0.094 -0.014 -0.010 0.004 0.069 -0.037 -0.077 -0.013 0.018 0.007 0.141 0.007 0.026 -0.011 0.017 0.014 -0.006 0.039 0.035 -0.127 0.017 -0.322 0.023 0.047 0.024 0.015 0.003 -0.000 -0.105 -0.015 0.059 0.004 0.022 0.004 -0.188 -0.248 0.058 0.038 -0.055 -0.045 -0.111 0.037 0.025 0.021 -0.120 -0.014 -0.020 -0.028 -0.101 0.011 -0.070 -0.030 0.077 -0.118 -0.248 -0.007 -0.057 -0.010 0.078 -0.061 0.002 0.098 -0.616 -0.144 -0.169 -0.023 -0.048 -0.013 0.030 -0.076 -0.039 0.075 -0.043 -0.063 0.022 -0.005 0.012 0.039 0.008 0.103 -0.059 0.269 0.113 0.030 -0.025 -0.014 -0.065 -0.090 -0.029 -0.053 0.033 0.002 -0.016 0.000 0.005 0.005 -0.015 -0.053 -0.075 0.065 0.061 0.062 -0.003 -0.008 -0.007 0.001 0.059 0.057 0.009 -0.011 0.015 0.004 -0.014 -0.018 0.013 0.250 0.055 -0.176 0.016 0.021 -0.006 -0.146 0.042 -0.107 -0.065 -0.057 0.125 0.169 -0.002 -0.065 0.026 -0.018 0.055 -0.012 0.029 0.009 0.028 -0.012 0.079 0.186 -0.169 0.128 -0.033 0.121 -0.018 -0.063 0.029 0.013 -0.026 0.061 0.026 0.009 0.048 0.067 -0.019 -0.027 -0.098 -0.129 0.505 -0.201 -0.087 0.008 -0.025 -0.147 -0.107 0.101 0.044 -0.026 -0.067 0.410 0.027 -0.306 -0.013 -0.097 -0.022 -0.008 -0.010 -0.011 -0.033 0.029 -0.003 0.018 -0.007 0.020 -0.079 0.060 -0.040 -0.105 0.317 0.204 0.030 0.007 -0.002 -0.132 -0.150 -0.013 0.014 -0.047 0.002 0.043 -0.030 0.021 -0.067 -0.061 0.016 0.023 0.009 0.032 0.133 0.176 -0.052 0.004 -0.007 0.007 -0.106 0.076 -0.027 -0.016 -0.061 -0.001 0.015 0.012 0.026 -0.012 -0.019 0.038 -0.147 0.190 0.101 -0.247 0.046 -0.251 0.078 -0.022 0.009 0.032 0.010 0.014 -0.149 -0.056 -0.025 -0.183 0.221 -0.455 0.018 0.040 0.018 -0.253 0.034 -0.052 -0.020 0.016 -0.012 -0.155 0.117 -0.005 0.029 0.014 0.017 0.024 -0.080 -0.256 0.004 0.028 0.040 0.381 -0.225 -0.225 0.003 -0.017 0.024 -0.050 0.097 -0.095 -0.102 0.028 0.092 -0.030 -0.017 -0.011 0.121 0.083 0.201 0.014 0.035 -0.004 0.031 -0.004 0.001 -0.074 -0.025 0.042 -0.030 -0.000 0.027 -0.122 -0.122 -0.013 0.186 -0.065 -0.242 -0.159 -0.033 0.158 -0.075 0.187 0.023 -0.041 0.026 -0.205 0.025 -0.050 -0.067 0.101 -0.059 -0.019 -0.078 -0.007 -0.104 0.174 -0.053 0.015 -0.024 0.226 0.037 0.037 -0.060 -0.055 -0.010 0.025 -0.038 -0.179 -0.168 -0.233 0.060 0.156 -0.045 -0.153 -0.077 0.114 0.067 -0.072 -0.076 0.066 0.057 -0.006 -0.069 -0.125 -0.074 -0.039 -0.054 0.036 -0.042 -0.012 -0.035 0.001 -0.007 0.004 -0.015 0.031 -0.039 0.070 -0.038 -0.078 -0.011 -0.007 -0.011 0.057 0.027 0.127 -0.006 -0.022 -0.004 -0.007 0.017 -0.009 -0.190 -0.042 0.136 -0.006 -0.008 0.011 0.148 -0.014 0.109 0.073 -0.011 -0.056 -0.156 -0.003 0.035 -0.050 0.142 0.047 0.039 0.022 -0.089 -0.016 -0.067 -0.042 -0.241 0.169 -0.218 0.105 -0.120 0.114 0.158 -0.040 0.017 -0.015 0.126 0.015 0.036 -0.014 -0.012 0.016 -0.006 0.041 0.003 0.362 0.061 0.005 0.027 -0.005 0.396 0.283 -0.192 0.027 -0.033 -0.016 0.350 0.068 -0.091 0.036 0.109 -0.097 0.007 0.008 -0.005 0.044 -0.005 -0.037 0.013 -0.002 0.015 -0.098 0.034 -0.010 0.522 0.060 -0.341 0.015 0.003 0.000 -0.052 -0.067 0.019 0.014 -0.004 0.005 -0.060 0.011 0.009 0.028 0.028 -0.005 0.008 0.006 0.019 -0.029 0.011 -0.041 0.004 -0.022 -0.068 -0.116 0.031 0.007 -0.058 -0.029 -0.036 -0.003 0.001 -0.008 -0.062 -0.030 -0.022 0.052 -0.010 0.080 0.339 -0.159 0.429 0.061 -0.036 -0.011 0.021 0.039 0.015 -0.061 -0.033 -0.032 -0.137 0.066 -0.326 -0.023 -0.085 -0.049 -0.090 0.018 -0.011 -0.141 -0.040 0.066 -0.069 0.054 -0.017 -0.056 -0.006 0.033 -0.001 -0.057 -0.100 -0.004 0.010 0.028 0.147 -0.093 -0.053 0.001 -0.003 0.014 -0.035 0.050 -0.039 0.048 0.024 -0.015 0.047 -0.004 0.015 -0.084 -0.086 -0.225 -0.026 0.007 -0.031 0.004 0.002 -0.002 -0.087 -0.009 0.097 0.013 0.010 -0.007 0.078 -0.053 0.080 0.084 -0.022 0.061 0.075 -0.120 0.219 -0.075 0.144 -0.052 -0.052 0.005 -0.067 0.131 0.017 0.058 -0.057 0.025 -0.062 0.008 -0.055 0.010 -0.633 0.081 -0.088 0.017 -0.000 0.052 -0.032 -0.038 -0.051 -0.019 -0.011 -0.104 -0.036 0.004 -0.012 0.042 0.040 -0.029 0.178 -0.028 -0.069 -0.151 0.142 -0.137 0.047 0.011 -0.065 -0.099 -0.296 0.255 0.001 0.028 -0.000 -0.015 -0.048 0.112 -0.003 0.004 -0.001 -0.053 -0.029 0.038 0.125 0.119 -0.000 -0.030 -0.002 -0.016 0.065 0.076 0.047 -0.036 0.021 -0.035 0.006 -0.012 0.012 -0.020 0.023 0.098 -0.057 -0.022 -0.056 0.061 -0.048 0.083 0.138 0.007 0.130 0.295 -0.173 0.234 0.096 -0.113 0.160 -0.125 0.072 -0.098 0.153 -0.053 0.235 -0.004 -0.020 -0.025 -0.052 -0.041 -0.032 0.268 0.110 0.107 -0.019 -0.029 -0.015 -0.049 0.013 0.047 -0.082 0.036 -0.424 0.028 -0.045 0.066 0.273 -0.031 0.034 0.134 -0.151 -0.051 0.083 -0.091 0.098 -0.044 0.011 -0.052 -0.001 0.251 0.141 -0.014 -0.030 -0.024 0.056 -0.097 -0.065 -0.007 0.003 -0.003 0.012 -0.017 0.022 -0.009 0.030 -0.017 0.004 -0.001 -0.033 0.015 0.023 -0.100 0.027 -0.055 0.013 -0.012 -0.004 -0.012 0.064 0.013 0.076 -0.023 -0.058 0.018 -0.030 0.105 -0.143 0.270 0.148 -0.102 -0.006 0.130 0.050 0.127 -0.138 -0.048 -0.159 0.037 0.077 0.039 0.159 0.085 -0.079 0.082 0.044 0.033 -0.008 0.027 -0.097 0.411 0.231 0.062 -0.041 -0.062 -0.001 0.009 0.007 0.033 -0.027 0.028 -0.035 0.022 -0.080 0.127 0.158 -0.095 -0.262 0.471 0.134 -0.012 -0.020 0.103 0.123 0.063 0.143 0.004 0.036 0.098 -0.005 -0.008 -0.065 -0.039 0.028 0.034 -0.008 0.003 0.003 -0.038 -0.005 0.003 -0.004 0.005 0.010 -0.008 0.001 0.025 0.007 0.001 0.059 0.032 -0.009 0.026 0.011 0.008 0.000 0.042 0.050 0.107 -0.002 0.040 -0.041 -0.086 0.014 -0.097 -0.055 -0.058 0.274 0.033 -0.097 0.128 -0.030 0.135 0.162 0.056 -0.023 -0.168 0.107 -0.215 0.071 -0.017 0.021 -0.020 -0.034 -0.040 -0.025 -0.054 -0.355 -0.235 -0.068 0.015 0.058 0.011 0.009 -0.005 0.109 -0.153 -0.114 0.023 -0.020 -0.022 0.003 -0.122 0.083 -0.288 0.539 0.126 0.041 0.009 -0.089 -0.006 0.022 0.178 -0.015 0.003 0.024 0.004 0.019 -0.019 0.007 -0.058 0.087 -0.020 0.004 -0.004 -0.048 -0.019 0.020 -0.009 -0.061 0.001 0.011 -0.002 -0.045 0.039 0.024 -0.072 0.011 0.009 0.015 0.014 0.030 0.011 -0.041 0.030 -0.069 0.009 -0.024 0.015 0.006 -0.021 0.038 -0.251 -0.266 0.090 -0.199 0.082 -0.162 0.082 0.159 0.363 0.179 0.047 -0.130 -0.081 -0.260 -0.002 0.036 -0.013 0.009 -0.042 -0.070 -0.012 -0.119 0.401 0.326 -0.005 0.013 0.044 0.004 0.012 0.023 0.222 -0.208 -0.164 0.031 -0.036 0.035 -0.033 0.108 -0.112 0.003 -0.067 -0.066 -0.016 -0.007 0.023 -0.041 0.010 0.057 0.009 -0.025 -0.009 0.005 0.012 0.015 0.047 -0.003 -0.104 0.005 0.012 -0.022 -0.016 -0.044 0.031 -0.022 -0.019 -0.020 0.008 0.013 0.000 -0.015 -0.019 0.032 -0.006 -0.021 -0.002 -0.009 0.008 -0.003 0.003 -0.003 -0.053 0.002 0.021 0.006 0.044 0.024 0.009 0.175 -0.326 -0.387 0.057 0.207 -0.218 0.133 -0.236 0.254 -0.206 0.329 0.009 -0.106 0.002 0.333 -0.027 0.002 0.012 -0.001 -0.010 0.014 -0.130 -0.281 -0.121 -0.099 -0.032 0.063 0.001 0.040 0.023 0.102 -0.091 0.033 -0.006 -0.056 0.015 -0.011 -0.008 0.037 0.095 0.025 -0.086 0.048 0.029 -0.062 -0.023 0.006 0.021 -0.026 -0.043 -0.037 0.003 -0.009 0.021 -0.025 0.025 -0.065 -0.059 -0.002 0.049 -0.083 0.018 0.026 -0.015 -0.068 0.010 -0.018 -0.003 0.015 -0.004 0.007 -0.003 -0.009 -0.014 -0.012 0.028 0.059 0.010 0.021 0.099 0.035 0.002 0.002 0.004 0.042 0.005 0.020 0.013 0.147 -0.089 0.011 0.081 -0.029 0.040 -0.071 -0.196 -0.035 -0.100 0.142 0.016 0.201 -0.125 0.004 -0.005 0.038 -0.091 -0.138 -0.044 0.050 -0.124 -0.061 0.087 -0.004 0.016 0.021 -0.007 -0.067 0.466 -0.556 -0.426 -0.012 0.026 -0.012 -0.001 -0.007 0.020 0.030 -0.077 -0.021 0.014 0.002 -0.043 0.020 -0.011 -0.033 0.013 0.015 -0.014 0.002 0.004 -0.000 -0.009 -0.036 0.047 -0.006 -0.003 -0.007 0.016 -0.005 0.006 -0.014 0.028 -0.027 -0.039 -0.011 0.022 0.017 0.051 -0.011 -0.004 -0.029 -0.012 -0.017 -0.016 -0.012 0.019 -0.020 0.028 0.002 0.019 -0.016 0.045 0.014 0.001 -0.111 -0.085 0.112 -0.332 0.427 0.140 0.529 0.093 0.205 -0.130 -0.203 -0.069 0.332 0.174 -0.060 -0.013 0.019 0.045 0.066 -0.001 0.044 -0.049 -0.142 -0.010 0.073 0.034 -0.088 -0.002 -0.015 0.055 -0.022 0.127 0.040 0.009 0.011 0.003 -0.002 -0.016 0.008 -0.015 -0.146 -0.062 0.054 -0.033 -0.068 0.001 0.003 0.006 -0.006 0.001 -0.002 0.012 0.009 0.011 -0.032 0.113 -0.172 -0.049 -0.003 -0.014 0.032 0.002 0.010 -0.002 0.043 0.022 -0.003 -0.010 0.041 0.001 0.010 -0.077 -0.017 0.018 -0.018 -0.002 -0.025 -0.007 0.210 0.107 0.338 0.001 -0.004 0.004 0.011 -0.011 0.006 -0.219 -0.167 -0.117 0.121 -0.065 0.060 0.079 0.021 -0.054 -0.021 0.015 0.037 -0.119 -0.100 0.058 -0.003 -0.009 0.002 0.013 0.012 -0.023 0.029 -0.032 0.091 0.658 0.211 -0.329 0.021 -0.014 0.018 -0.025 0.037 0.031 -0.005 -0.008 -0.012 -0.012 0.015 -0.011 0.019 0.083 -0.013 0.000 0.024 -0.097 -0.019 -0.025 0.001 0.006 -0.002 -0.018 -0.003 -0.003 0.000 0.048 0.015 0.065 0.028 0.003 0.004 -0.009 -0.003 -0.009 -0.023 0.118 0.015 0.006 0.006 -0.022 0.003 -0.008 0.042 -0.029 0.023 -0.033 0.001 -0.035 -0.014 0.463 0.110 0.688 0.005 0.000 0.007 0.017 -0.005 -0.005 -0.023 -0.055 -0.036 0.000 0.183 -0.038 -0.026 -0.019 0.010 0.017 -0.037 -0.033 -0.078 -0.010 -0.129 -0.021 -0.001 0.003 0.023 0.000 -0.018 -0.010 0.058 -0.033 -0.381 -0.114 0.147 0.000 0.012 -0.016 -0.054 -0.083 0.018 -0.007 -0.001 0.004 -0.009 -0.004 0.010 0.046 -0.042 0.014 0.004 -0.011 0.063 -0.007 -0.019 -0.009 0.003 -0.017 0.006 -0.028 -0.009 -0.035 0.105 -0.414 0.594 -0.016 -0.001 -0.002 0.005 0.004 0.005 -0.014 0.010 -0.002 0.004 -0.003 0.019 -0.007 -0.002 -0.030 0.002 -0.000 0.002 0.000 -0.004 -0.001 0.050 -0.004 0.063 0.007 0.040 -0.029 0.006 0.008 0.012 0.325 0.013 0.150 -0.113 0.232 -0.153 -0.221 0.013 -0.148 -0.042 0.069 -0.046 -0.073 -0.057 0.055 0.007 0.012 0.009 0.007 -0.003 0.002 0.041 -0.045 -0.021 0.284 0.078 -0.081 0.005 -0.002 -0.008 0.038 -0.047 0.062 0.016 0.007 0.048 0.012 -0.030 0.008 -0.029 -0.141 -0.042 -0.018 0.012 -0.041 0.043 0.063 0.036 -0.027 0.004 0.012 0.011 0.012 0.012 -0.068 0.286 -0.398 -0.002 0.001 -0.001 0.002 -0.006 -0.003 -0.027 0.030 -0.022 0.009 -0.000 0.006 0.009 -0.011 -0.002 -0.001 -0.009 -0.004 -0.002 0.010 -0.003 0.075 -0.126 0.053 -0.025 -0.037 0.002 -0.013 0.017 -0.019 0.159 0.309 0.259 -0.205 0.343 -0.195 -0.251 0.018 -0.107 0.006 0.006 -0.112 0.168 -0.238 0.256 -0.014 0.022 -0.011 0.016 -0.015 0.015 0.021 0.062 -0.077 0.054 0.026 -0.060 0.011 0.023 -0.025 0.016 -0.120 0.085 -0.004 -0.016 -0.021 0.018 -0.002 -0.007 0.049 -0.195 0.106 -0.003 0.010 0.019 -0.038 0.011 -0.072 0.001 0.014 0.013 0.000 0.005 -0.007 0.113 0.092 0.087 0.011 -0.002 0.011 -0.010 0.006 0.002 -0.022 0.003 -0.028 0.003 -0.001 -0.001 -0.002 0.002 0.002 0.001 -0.016 -0.001 -0.002 0.007 -0.003 -0.024 -0.038 -0.049 0.004 0.008 0.001 0.011 -0.002 -0.022 -0.350 -0.525 -0.032 0.055 0.142 0.064 -0.357 0.036 -0.396 -0.154 -0.003 -0.041 0.269 0.118 0.138 -0.026 -0.011 0.001 0.004 -0.005 0.014 0.218 0.150 0.066 -0.037 -0.037 0.110 -0.008 0.012 -0.029 0.015 -0.071 0.063 0.011 -0.003 -0.013 -0.018 -0.024 -0.014 0.012 0.112 -0.029 -0.032 -0.019 0.018 -0.021 -0.016 0.009 -0.039 -0.022 -0.016 -0.025 -0.022 -0.023 0.390 0.359 0.267 -0.008 -0.001 0.007 0.022 -0.012 -0.015 0.013 0.013 0.017 0.003 -0.009 0.032 0.005 -0.003 0.022 -0.000 -0.001 -0.001 0.007 0.034 0.004 0.026 -0.279 -0.050 -0.005 -0.013 0.009 -0.047 0.033 -0.027 0.014 -0.066 -0.030 -0.026 -0.052 -0.021 0.130 0.010 0.097 0.001 0.020 0.027 -0.055 0.025 -0.025 -0.020 0.039 -0.047 -0.001 -0.018 -0.007 0.038 0.208 -0.314 -0.131 0.101 -0.446 0.049 0.014 -0.004 -0.099 -0.136 -0.057 0.004 -0.005 -0.017 -0.021 -0.059 0.039 0.150 0.028 0.246 -0.001 -0.014 0.070 -0.044 -0.010 -0.063 -0.026 -0.073 0.038 0.011 0.006 0.021 -0.180 -0.175 -0.124 0.009 -0.005 0.022 0.014 -0.045 -0.062 -0.026 -0.012 -0.048 0.025 -0.006 0.041 -0.030 0.019 0.025 0.007 -0.007 0.008 0.017 -0.028 -0.001 -0.133 0.417 -0.031 0.011 0.002 0.017 0.039 -0.022 0.038 0.025 -0.081 0.072 0.031 0.082 0.027 -0.033 0.031 -0.085 -0.028 0.010 -0.013 -0.028 -0.029 0.019 0.030 -0.025 0.042 -0.044 0.022 0.037 0.016 0.135 -0.177 -0.346 0.101 -0.580 0.022 0.095 -0.055 -0.019 -0.024 -0.020 0.021 0.002 -0.006 0.012 -0.028 -0.049 -0.158 -0.011 -0.314 -0.032 -0.053 0.046 0.010 0.035 0.031 -0.060 0.024 -0.012 -0.020 -0.024 -0.000 0.324 0.409 0.094 -0.002 -0.001 0.002 -0.010 -0.015 -0.021 -0.008 -0.030 -0.017 -0.019 -0.000 -0.013 0.040 -0.030 -0.007 0.001 -0.018 -0.002 -0.011 -0.059 -0.005 -0.139 0.592 -0.007 -0.014 -0.021 0.001 0.006 0.003 0.068 0.126 -0.003 0.092 -0.048 0.017 -0.052 -0.048 -0.019 0.086 0.008 0.018 -0.011 -0.011 0.024 -0.029 0.069 0.015 0.021 -0.010 0.025 0.011 0.045 0.099 -0.174 0.156 -0.035 0.220 -0.038 0.019 -0.005 0.270 0.269 0.001 0.040 -0.001 -0.036 -0.010 -0.010 0.048 -0.007 0.001 -0.071 0.031 0.049 0.015 -0.040 0.048 -0.037 0.020 -0.041 0.024 0.006 0.009 0.010 -0.082 0.099 -0.248 -0.005 0.008 -0.014 0.001 0.038 0.052 0.019 -0.003 0.031 -0.010 -0.000 -0.005 0.014 -0.015 -0.003 0.004 0.009 0.007 0.006 0.020 0.002 0.022 -0.210 -0.029 -0.006 -0.011 0.003 0.017 -0.007 -0.015 0.373 -0.435 0.445 0.100 0.100 0.093 -0.087 -0.061 0.136 -0.025 0.029 -0.001 -0.157 0.151 -0.220 -0.026 -0.018 0.011 0.001 -0.005 -0.007 0.048 0.102 -0.154 0.143 0.002 0.098 0.023 -0.128 0.071 -0.120 -0.101 0.008 -0.008 -0.009 0.007 0.008 0.026 0.042 -0.109 -0.016 -0.227 0.001 0.014 0.009 0.004 -0.060 0.028 0.024 0.004 0.009 -0.009 -0.017 0.008 0.160 0.158 0.092 0.003 0.015 -0.029 0.001 0.081 0.107 -0.095 0.038 -0.148 0.001 0.002 -0.009 -0.004 0.005 -0.003 0.006 -0.008 0.008 0.062 0.013 0.004 -0.128 0.265 -0.041 -0.008 -0.002 -0.011 0.013 -0.006 0.015 -0.039 0.126 -0.073 0.026 0.082 0.037 0.070 0.004 -0.026 0.009 -0.023 -0.009 -0.007 -0.046 0.018 0.015 -0.003 0.013 -0.107 0.023 0.097 -0.031 -0.099 0.159 0.048 -0.019 0.099 0.056 -0.217 0.109 -0.601 -0.453 0.064 0.050 0.003 -0.034 -0.010 0.022 0.035 -0.079 0.001 -0.169 0.002 0.001 -0.015 -0.028 0.087 -0.019 0.054 -0.021 0.009 -0.007 -0.002 -0.011 0.139 0.233 -0.015 0.007 -0.013 0.016 0.003 -0.016 -0.031 0.028 -0.016 0.041 0.034 0.008 0.001 -0.098 0.085 0.014 -0.003 -0.009 -0.005 -0.007 -0.006 -0.002 -0.032 0.022 -0.036 -0.024 0.005 -0.044 -0.032 0.035 0.041 0.180 -0.136 0.198 0.045 0.082 0.052 0.032 0.066 -0.171 -0.022 0.018 0.020 -0.110 0.002 -0.044 0.045 0.048 -0.017 0.008 0.001 -0.010 -0.091 -0.347 0.611 -0.192 0.024 -0.201 -0.019 0.150 -0.079 0.085 0.066 -0.017 -0.014 -0.005 0.006 -0.018 0.107 0.131 0.057 -0.006 0.102 -0.093 -0.151 -0.063 -0.005 -0.036 -0.005 0.188 -0.039 0.025 0.006 0.021 -0.021 -0.120 -0.109 -0.073 -0.002 0.029 -0.009 0.001 -0.048 -0.031 -0.063 0.026 -0.095 0.018 0.006 0.005 -0.063 0.048 0.010 -0.008 -0.005 -0.010 0.016 -0.011 0.002 -0.017 0.270 0.062 0.001 0.007 -0.006 -0.021 0.004 0.010 0.055 -0.122 0.078 -0.244 -0.267 -0.260 -0.262 -0.164 0.260 0.002 0.026 0.012 0.171 0.205 -0.043 0.036 0.025 -0.017 -0.035 0.008 0.034 -0.014 -0.046 0.075 0.019 0.050 -0.146 0.049 -0.272 0.144 -0.075 -0.060 0.001 -0.083 -0.003 0.051 0.003 0.013 0.007 0.197 0.008 0.403 -0.087 -0.118 -0.030 0.047 -0.161 0.020 0.007 0.007 -0.001 -0.005 -0.016 0.015 0.097 0.095 0.055 -0.005 0.087 0.019 -0.011 -0.415 -0.413 0.031 -0.009 0.044 0.011 0.002 0.002 -0.026 0.021 0.005 0.007 0.014 0.010 -0.018 0.002 -0.001 0.067 -0.160 0.017 -0.005 -0.001 -0.005 0.046 -0.042 -0.056 -0.041 0.100 -0.064 0.031 0.001 0.016 -0.091 -0.046 0.011 0.014 -0.013 -0.016 0.032 -0.016 0.012 -0.081 -0.077 0.030 0.026 -0.007 -0.022 -0.024 -0.060 0.098 -0.055 0.003 -0.086 0.072 -0.538 0.251 0.167 0.093 -0.021 0.061 0.002 -0.039 -0.006 0.012 0.019 -0.139 -0.001 -0.280 -0.025 -0.037 -0.012 -0.036 0.118 -0.017 0.037 -0.013 0.005 -0.006 -0.021 0.021 0.118 0.121 0.059 0.002 -0.042 -0.012 0.008 0.219 0.226 -0.021 0.016 -0.027 0.019 0.008 0.002 -0.061 0.046 0.009 0.011 0.032 0.018 -0.006 0.008 0.004 0.113 -0.157 0.089 -0.006 -0.001 -0.007 0.102 -0.106 -0.129 -0.029 0.109 -0.063 -0.133 -0.231 -0.154 -0.262 -0.172 0.293 0.032 -0.012 -0.020 0.175 0.129 -0.015 -0.150 -0.152 0.054 0.026 -0.011 -0.024 -0.031 -0.074 0.112 0.029 0.053 -0.119 -0.029 0.246 -0.104 0.041 0.030 -0.001 0.085 0.003 -0.054 -0.006 0.015 0.025 -0.201 0.000 -0.400 -0.093 -0.131 -0.035 -0.047 0.156 -0.021 0.044 -0.016 0.007 -0.003 0.002 -0.003 0.000 -0.027 0.033 -0.001 -0.003 -0.008 0.003 0.036 0.044 0.016 -0.011 0.020 0.016 0.009 0.002 -0.025 0.012 0.003 -0.005 -0.028 -0.012 -0.006 -0.003 -0.002 -0.073 -0.002 -0.090 0.001 0.002 0.004 -0.061 0.073 0.085 -0.135 0.145 -0.180 0.331 0.449 0.333 -0.377 -0.253 0.359 0.094 -0.133 -0.149 -0.009 -0.023 -0.136 0.081 0.088 -0.027 0.011 0.001 -0.007 -0.032 -0.012 -0.000 0.049 0.040 -0.087 0.002 0.012 0.002 0.051 0.017 0.025 -0.009 0.003 0.004 -0.003 0.003 0.003 0.055 0.010 0.101 -0.062 -0.085 -0.019 0.029 -0.078 0.013 0.045 -0.013 0.004 -0.001 0.000 -0.000 0.004 0.002 0.002 0.001 -0.002 -0.005 0.003 0.052 0.055 -0.003 0.002 -0.006 0.010 -0.098 -0.019 -0.409 0.445 0.095 0.000 0.000 -0.000 -0.002 -0.001 0.001 0.001 -0.001 0.000 -0.011 0.008 0.001 0.002 -0.002 -0.003 -0.003 -0.005 -0.001 0.003 0.004 0.001 -0.085 -0.019 0.032 0.007 -0.011 -0.012 0.017 0.022 -0.011 -0.005 -0.004 0.002 0.011 -0.002 -0.012 -0.009 -0.023 0.064 -0.035 0.031 -0.066 0.007 -0.039 0.023 0.026 0.016 -0.004 0.004 -0.000 -0.002 0.014 -0.031 -0.042 0.001 0.000 0.001 0.360 0.649 0.137 0.002 -0.006 0.001 0.112 -0.031 0.009 0.003 -0.003 -0.001 -0.002 0.002 -0.004 0.000 0.001 0.009 -0.005 -0.071 -0.077 -0.364 0.163 -0.628 -0.001 -0.001 -0.001 -0.003 0.004 0.001 0.003 -0.001 -0.003 -0.007 -0.005 0.098 -0.001 -0.024 -0.028 0.006 -0.004 -0.004 -0.034 0.031 0.046 0.012 -0.012 0.015 0.043 -0.006 0.032 0.017 0.004 0.001 0.010 -0.005 -0.002 -0.028 -0.004 -0.013 0.007 0.010 -0.003 0.412 -0.085 -0.474 0.000 0.001 0.000 0.015 -0.002 0.014 -0.008 0.059 -0.033 0.008 0.001 -0.019 -0.022 0.002 0.013 -0.013 0.033 0.045 -0.003 -0.002 -0.003 0.003 0.005 0.001 -0.013 0.033 -0.006 -0.051 0.015 -0.002 -0.005 0.003 0.001 0.007 0.022 0.010 0.000 -0.000 -0.001 0.001 0.007 0.007 0.029 -0.013 0.049 0.003 -0.012 -0.003 -0.056 0.061 0.011 0.006 0.001 -0.004 0.000 0.000 -0.008 -0.002 0.002 0.001 0.075 -0.052 -0.045 -0.023 0.018 0.031 -0.014 0.029 0.001 0.004 0.013 0.007 -0.022 -0.010 0.015 0.010 -0.009 -0.006 0.001 0.001 -0.002 -0.041 -0.034 0.016 -0.033 0.007 0.038 -0.012 -0.009 0.042 -0.005 0.005 -0.013 0.001 -0.004 0.003 0.001 0.000 0.002 0.033 -0.003 -0.019 -0.156 0.380 0.521 -0.001 0.001 -0.004 0.039 0.070 0.014 0.018 -0.044 0.008 -0.688 0.200 -0.038 0.023 -0.021 -0.004 -0.015 -0.006 -0.008 -0.000 0.001 -0.001 0.000 0.009 0.012 -0.003 0.002 -0.006 0.001 -0.001 0.000 -0.005 0.005 0.001 -0.078 -0.013 0.058 -0.002 0.000 0.001 0.015 -0.016 -0.004 0.007 -0.004 -0.004 0.348 -0.268 -0.451 -0.009 -0.015 0.005 0.022 0.002 -0.001 -0.010 -0.006 0.008 -0.001 -0.002 0.000 0.001 0.006 -0.010 0.518 0.421 -0.201 0.009 -0.002 -0.010 -0.002 0.001 0.001 -0.004 0.001 -0.007 0.002 -0.017 0.009 0.012 0.007 -0.002 -0.150 0.018 0.084 -0.015 0.040 0.054 0.005 0.004 -0.004 0.003 0.006 0.001 -0.093 0.236 -0.044 -0.051 0.016 -0.002 -0.070 0.061 0.017 0.055 0.029 0.029 0.000 0.000 0.004 -0.002 -0.036 -0.038 -0.020 0.009 -0.034 -0.001 0.000 -0.001 0.001 -0.000 -0.000 -0.023 0.002 0.025 0.000 0.001 0.006 0.009 -0.014 0.000 -0.003 0.001 0.002 0.142 -0.113 -0.183 0.017 0.058 -0.025 -0.011 -0.018 -0.022 0.020 0.013 -0.015 0.004 -0.001 -0.006 0.008 -0.013 0.025 0.139 0.109 -0.055 0.022 -0.005 -0.026 0.001 -0.004 0.007 0.007 -0.002 0.010 -0.005 0.032 -0.018 -0.013 -0.007 0.000 0.488 -0.055 -0.271 0.009 -0.028 -0.036 -0.035 -0.016 -0.097 -0.000 -0.001 -0.001 0.266 -0.674 0.128 0.000 -0.003 -0.001 0.005 -0.003 -0.001 -0.006 -0.003 -0.005 0.006 0.000 0.056 -0.021 -0.468 -0.498 -0.003 0.001 0.002 0.003 -0.008 -0.011 -0.107 0.110 0.022 -0.000 0.002 0.001 0.021 0.009 -0.010 -0.004 0.008 0.004 -0.000 0.000 0.001 0.012 -0.011 -0.017 0.007 -0.017 0.010 -0.022 -0.027 -0.015 -0.024 -0.065 0.148 0.017 -0.025 -0.018 0.025 0.059 -0.029 -0.007 -0.007 0.002 -0.108 0.021 0.117 0.006 0.013 -0.026 0.177 -0.005 0.128 -0.069 0.489 -0.262 -0.236 -0.143 0.042 -0.039 0.004 0.022 0.002 -0.004 -0.005 0.003 0.001 0.006 -0.012 -0.007 -0.004 -0.013 0.032 -0.006 0.002 -0.001 0.000 -0.014 -0.007 0.019 -0.083 -0.110 -0.023 -0.001 -0.001 0.005 0.002 -0.012 -0.015 -0.179 0.080 -0.283 -0.025 0.002 0.005 0.210 -0.213 -0.045 -0.005 -0.014 -0.012 0.031 -0.008 -0.004 0.061 -0.150 0.035 -0.017 -0.006 -0.026 -0.122 0.107 0.163 -0.031 -0.046 -0.007 -0.009 -0.074 -0.011 -0.048 -0.020 0.020 0.006 -0.011 -0.010 0.021 0.031 0.003 0.151 0.132 -0.054 -0.289 0.057 0.316 0.001 0.027 -0.021 -0.026 0.013 -0.066 -0.003 0.022 -0.010 0.105 0.082 -0.007 0.272 -0.022 -0.156 -0.070 0.204 0.289 -0.005 0.002 0.005 0.114 0.185 0.041 -0.057 0.171 -0.036 0.313 -0.084 0.030 -0.001 -0.002 0.002 0.044 0.067 -0.001 -0.007 -0.000 -0.006 0.005 0.052 0.052 -0.181 0.080 -0.288 0.035 -0.003 -0.004 -0.299 0.305 0.064 -0.004 -0.014 -0.009 0.029 -0.010 -0.003 0.061 -0.161 0.031 0.016 0.005 0.025 -0.121 0.107 0.164 0.033 0.015 0.021 0.026 -0.037 0.019 0.080 0.038 -0.039 -0.019 0.031 0.033 -0.024 -0.032 -0.008 0.156 0.135 -0.055 -0.284 0.057 0.310 0.008 -0.002 -0.027 0.030 -0.019 0.087 0.007 -0.057 0.029 0.145 0.105 -0.012 -0.011 0.002 0.006 0.064 -0.184 -0.261 -0.046 0.002 -0.085 -0.165 -0.267 -0.058 0.001 -0.005 0.002 -0.283 0.076 -0.027 -0.020 -0.014 0.024 -0.097 -0.120 -0.036 -0.001 0.001 -0.006 -0.001 0.020 0.024 0.134 -0.058 0.214 0.033 -0.003 0.001 -0.294 0.302 0.062 -0.002 -0.016 -0.009 -0.024 0.009 0.000 -0.003 0.050 0.011 -0.010 -0.007 -0.010 -0.097 0.085 0.131 -0.037 -0.038 -0.014 -0.029 -0.026 -0.034 0.072 0.031 -0.029 -0.035 0.044 0.041 0.018 -0.029 0.008 0.121 0.105 -0.043 0.196 -0.041 -0.211 0.033 0.109 -0.198 0.048 -0.020 0.102 0.004 -0.032 0.016 -0.069 -0.057 0.005 0.376 -0.030 -0.215 -0.047 0.131 0.189 0.023 0.006 0.061 -0.171 -0.277 -0.058 -0.089 0.261 -0.056 0.203 -0.054 0.018 -0.015 -0.016 0.017 0.017 0.049 -0.029 0.005 0.000 0.004 -0.004 -0.036 -0.034 0.106 -0.045 0.173 -0.020 0.002 -0.004 0.188 -0.195 -0.039 -0.004 -0.029 -0.014 -0.017 0.012 -0.002 0.031 -0.012 0.038 0.021 0.016 0.021 -0.193 0.168 0.262 0.039 -0.033 0.050 -0.050 -0.085 -0.055 -0.092 -0.056 0.066 -0.019 0.020 0.029 0.050 0.055 -0.042 0.247 0.212 -0.087 0.141 -0.031 -0.150 -0.035 -0.124 0.207 -0.024 0.017 -0.072 -0.004 0.037 -0.018 -0.085 -0.066 0.009 0.247 -0.018 -0.143 0.078 -0.219 -0.314 -0.032 0.010 -0.045 0.113 0.186 0.038 -0.069 0.194 -0.041 -0.342 0.093 -0.031 -0.026 -0.023 0.013 -0.057 -0.040 -0.054 -0.002 -0.001 -0.000 0.002 0.008 0.005 -0.070 0.029 -0.115 0.001 0.001 -0.003 0.003 -0.005 0.000 -0.002 0.031 0.006 0.012 -0.010 0.002 -0.055 0.063 -0.052 0.013 0.010 0.012 0.215 -0.187 -0.297 0.042 -0.075 0.063 0.079 0.126 0.087 0.002 -0.002 0.005 0.019 -0.018 -0.013 -0.076 -0.000 -0.050 -0.282 -0.239 0.099 -0.088 0.020 0.092 -0.012 -0.046 0.068 -0.003 0.000 -0.002 0.000 -0.002 0.001 0.046 0.038 -0.004 0.410 -0.034 -0.230 0.042 -0.117 -0.167 0.173 0.000 0.333 0.003 0.005 0.000 -0.118 0.326 -0.073 -0.180 0.050 -0.016 0.000 0.003 -0.002 0.006 -0.004 0.012 0.001 -0.001 0.003 -0.000 -0.012 -0.013 -0.013 0.005 -0.023 -0.004 -0.001 -0.000 0.021 -0.023 -0.005 0.001 0.004 0.002 0.003 -0.002 0.001 -0.012 0.000 -0.015 -0.001 -0.001 -0.003 0.022 -0.017 -0.029 -0.021 0.033 -0.005 0.031 0.051 0.041 -0.048 -0.022 0.056 -0.398 0.506 0.523 0.250 -0.320 -0.353 -0.027 -0.022 0.010 -0.015 0.005 0.016 -0.003 -0.000 0.012 0.008 0.006 -0.014 -0.003 0.021 -0.009 -0.004 0.005 0.002 -0.018 0.002 0.010 -0.009 0.015 0.019 0.006 -0.006 0.010 0.015 0.029 0.007 0.010 -0.023 0.004 0.017 -0.006 0.001</array>
                  </module>
               </property>
               <property dictRef="cc:intensities">
                  <module cmlx:templateRef="intensities">
                     <array dataType="xsd:double"
                            dictRef="cc:frequency"
                            size="81"
                            units="nonsi:cm-1">-22.494309 -13.572794 7.316166 17.918413 23.729403 36.110197 39.799340 45.682589 51.369749 53.655612 68.046841 74.613124 77.948537 91.744042 135.811319 138.829362 145.605050 151.101248 154.193944 156.912083 161.149188 164.962502 180.436484 183.581171 194.213602 200.647773 206.543216 210.579624 214.274092 226.374674 228.584262 231.776644 238.773356 248.145991 276.447227 290.613931 297.912425 305.796645 309.077620 313.512196 316.242670 318.666721 321.192045 325.701821 331.836913 334.170163 339.532088 347.716989 372.224438 389.607031 404.469931 414.387839 424.650720 456.691987 511.966660 516.944089 525.472614 549.926903 563.638692 603.637587 661.301080 670.701453 731.880330 751.999776 762.949687 771.109316 786.221394 789.461280 814.150630 854.906779 862.666838 863.661571 864.417518 866.395076 874.799171 924.167521 925.660896 930.059185 937.987824 948.018295 1072.742210</array>
                     <array dataType="xsd:double"
                            dictRef="cc:dipole"
                            size="81"
                            units="nonsi2:1e-40.esu2.cm2">750.992482 0.000000 0.000000 0.000000 681.593627 674.026238 627.818234 448.596866 274.159180 401.661604 28.833750 181.413270 3.566952 172.844831 69.612729 160.663528 22.094704 74.388325 134.828868 88.870884 190.871884 88.689362 286.136579 118.460602 125.213508 112.226678 27.334066 790.186295 590.976916 3098.759164 1433.011006 1163.860701 2033.533343 2612.255404 1699.352169 1145.318690 363.669148 2473.210772 175.301740 57.931725 333.723193 64.418244 1953.400082 256.578370 675.953072 188.011966 428.236432 1572.370863 1643.515626 126.884898 238.053358 593.032671 928.848555 105.085911 2031.552584 1349.210164 396.716303 3139.551070 2652.794416 2321.584179 20213.871735 12646.568205 2913.330623 2661.632138 4112.778479 7662.747762 2628.411603 3186.462988 1682.797944 1604.137000 2005.754976 2560.269219 1220.249887 3041.088259 860.893077 430.107857 1196.384650 455.053324 20.467206 178.235160 1688.499733</array>
                     <array dataType="xsd:double"
                            dictRef="cc:absortion"
                            size="81"
                            units="nonsi2:km.mole-1">-4.234346 0.000000 0.000000 0.000000 4.054062 6.100771 6.263079 5.136710 3.530111 5.401987 0.491798 3.392832 0.069692 3.974773 2.369751 5.590835 0.806385 2.817416 5.211086 3.495376 7.709889 3.667202 12.941238 5.451050 6.095494 5.644280 1.415120 41.708436 31.740828 175.830306 82.105816 67.615886 121.706908 162.480396 117.753466 83.429732 27.156459 189.571007 13.581003 4.552490 26.453609 5.145454 157.265715 20.946830 56.223686 15.748211 36.445382 137.043666 153.340470 12.391241 24.134518 61.597586 98.867794 12.029455 260.704074 174.824079 52.252636 432.763464 374.785227 351.268155 3350.632586 2126.081987 534.451031 501.699668 786.519125 1481.080111 517.983950 630.547464 343.411478 343.746502 433.709617 554.252041 264.393276 660.424339 188.771162 99.633675 277.588084 106.084259 4.812091 42.353389 454.019427</array>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="scanfreq">
                     <list cmlx:templateRef="scanfreq">
                        <array dataType="xsd:double"
                               dictRef="a:oldfreq"
                               size="2"
                               units="nonsi:cm-1">-22.494 -13.573</array>
                        <array dataType="xsd:double"
                               dictRef="a:newfreq"
                               size="2"
                               units="nonsi:cm-1">32.575 22.091</array>
                        <array dataType="xsd:double"
                               dictRef="a:dipolederivX"
                               size="2"
                               units="nonsi:hartree">-0.057 -0.038</array>
                        <array dataType="xsd:double"
                               dictRef="a:dipolederivY"
                               size="2"
                               units="nonsi:hartree">0.082 0.013</array>
                        <array dataType="xsd:double"
                               dictRef="a:dipolederivZ"
                               size="2"
                               units="nonsi:hartree">-0.006 0.005</array>
                        <array dataType="xsd:double"
                               dictRef="cc:irintensity"
                               size="2"
                               units="nonsi2:km.mol-1">9.784 1.610</array>
                        <array dataType="xsd:double"
                               dictRef="cc:forceconst"
                               size="2"
                               units="nonsi:hartree">0.00156520 0.00155165</array>
                        <array dataType="xsd:double"
                               dictRef="cc:redmass"
                               size="2"
                               units="nonsi:hartree">38.976538 84.017407</array>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:thermochemistry">
                  <module cmlx:templateRef="thermochemistry">
                     <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.000000</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.150000</scalar>
                     <array dataType="xsd:double" dictRef="cc:moi" size="3">30420.1290 36951.1556 58623.1244</array>
                     <scalar dataType="xsd:integer" dictRef="cc:symmnumber">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:pointgroup">NOSYM</scalar>
                     <module cmlx:templateRef="energies">
                        <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                        <list cmlx:templateRef="entropy">
                           <scalar dataType="xsd:double"
                                   dictRef="cc:transl"
                                   units="nonsi2:cal.mol-1.K-1">47.751</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:rotat"
                                   units="nonsi2:cal.mol-1.K-1">39.418</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:vibrat"
                                   units="nonsi2:cal.mol-1.K-1">136.502</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:total"
                                   units="nonsi2:cal.mol-1.K-1">223.672</scalar>
                        </list>
                        <list cmlx:templateRef="internalEnergy">
                           <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi2:kcal.mol-1">0.889</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi2:kcal.mol-1">0.889</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi2:kcal.mol-1">65.938</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi2:kcal.mol-1">67.715</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">111.879</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:total"
                                   units="nonsi2:cal.mol-1.K-1">117.841</scalar>
                        </list>
                     </module>
                  </module>
               </property>
            </propertyList>
            <molecule id="finalization.0">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="0.146382"
                        y3="-2.388563"
                        z3="2.326774"/>
                  <atom elementType="O"
                        id="a2"
                        x3="1.398561"
                        y3="-1.477499"
                        z3="3.480511"/>
                  <atom elementType="Ta"
                        id="a3"
                        x3="0.18901"
                        y3="2.094707"
                        z3="-2.588836"/>
                  <atom elementType="O"
                        id="a4"
                        x3="0.132189"
                        y3="0.833044"
                        z3="-3.865685"/>
                  <atom elementType="O"
                        id="a5"
                        x3="-3.821288"
                        y3="0.957277"
                        z3="-3.318869"/>
                  <atom elementType="W"
                        id="a6"
                        x3="2.714956"
                        y3="1.885997"
                        z3="-0.428758"/>
                  <atom elementType="O"
                        id="a7"
                        x3="3.905083"
                        y3="0.626768"
                        z3="-0.689135"/>
                  <atom elementType="W"
                        id="a8"
                        x3="-1.555448"
                        y3="-2.357143"
                        z3="-0.975676"/>
                  <atom elementType="W"
                        id="a9"
                        x3="-2.939687"
                        y3="0.569658"
                        z3="-1.84694"/>
                  <atom elementType="O"
                        id="a10"
                        x3="-2.689894"
                        y3="-1.294325"
                        z3="-2.205953"/>
                  <atom elementType="W"
                        id="a11"
                        x3="2.120273"
                        y3="0.232498"
                        z3="2.812523"/>
                  <atom elementType="O"
                        id="a12"
                        x3="-0.606136"
                        y3="-3.138914"
                        z3="-2.223261"/>
                  <atom elementType="O"
                        id="a13"
                        x3="0.698713"
                        y3="-0.506306"
                        z3="1.399823"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-1.348506"
                        y3="-0.394938"
                        z3="-0.366213"/>
                  <atom elementType="O"
                        id="a15"
                        x3="0.672687"
                        y3="1.331135"
                        z3="-0.55809"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-1.093099"
                        y3="1.549429"
                        z3="1.579381"/>
                  <atom elementType="Si"
                        id="a17"
                        x3="-0.346906"
                        y3="0.592819"
                        z3="0.582795"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-2.84825"
                        y3="-3.439082"
                        z3="-0.49059"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-4.108697"
                        y3="0.804188"
                        z3="-0.56195"/>
                  <atom elementType="O"
                        id="a20"
                        x3="2.284886"
                        y3="1.574562"
                        z3="1.472765"/>
                  <atom elementType="O"
                        id="a21"
                        x3="2.177597"
                        y3="2.283629"
                        z3="-2.208915"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-0.04298"
                        y3="3.700815"
                        z3="-3.383913"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-1.684241"
                        y3="1.94497"
                        z3="-1.786332"/>
                  <atom elementType="O"
                        id="a24"
                        x3="-1.37079"
                        y3="-2.245936"
                        z3="3.178693"/>
                  <atom elementType="O"
                        id="a25"
                        x3="1.747918"
                        y3="1.224939"
                        z3="4.207573"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.370697"
                        y3="-2.707528"
                        z3="0.50403"/>
                  <atom elementType="O"
                        id="a27"
                        x3="3.585976"
                        y3="3.381965"
                        z3="-0.102637"/>
                  <atom elementType="O"
                        id="a28"
                        x3="0.753717"
                        y3="-4.007777"
                        z3="2.643375"/>
                  <atom elementType="O"
                        id="a29"
                        x3="3.803969"
                        y3="-0.243489"
                        z3="2.93421"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a28" order="S"/>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a26" order="S"/>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a21" order="S"/>
                  <bond atomRefs2="a3 a23" order="S"/>
                  <bond atomRefs2="a3 a22" order="S"/>
                  <bond atomRefs2="a5 a9" order="S"/>
                  <bond atomRefs2="a6 a27" order="S"/>
                  <bond atomRefs2="a6 a20" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a14" order="S"/>
                  <bond atomRefs2="a8 a26" order="S"/>
                  <bond atomRefs2="a9 a19" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a11 a25" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
               </bondArray>
               <formula concise="O22SiTaW5"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1480.2201999999986</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/O4Si.18O.Ta.5W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;+1/rO22SiTaW5/c1-23-14-26(6,7)17-25(4,5)15-24(2,3)16-27(8,9,21(23)24)19-29(12,13)20-28(10,11,18-26)22(23)29">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,14,15,16,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;3;1;6;9;11;8/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;/rA:29nWOTaO1O1WO1WWOWO1O3OO3O1SiO1O1OOO1OO1O1OO1O1O1/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s1s11;s8;s3s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;/rC:.1464,-2.3886,2.3268;1.3986,-1.4775,3.4805;.189,2.0947,-2.5888;.1322,.833,-3.8657;-3.8213,.9573,-3.3189;2.715,1.886,-.4288;3.9051,.6268,-.6891;-1.5554,-2.3571,-.9757;-2.9397,.5697,-1.8469;-2.6899,-1.2943,-2.206;2.1203,.2325,2.8125;-.6061,-3.1389,-2.2233;.6987,-.5063,1.3998;-1.3485,-.3949,-.3662;.6727,1.3311,-.5581;-1.0931,1.5494,1.5794;-.3469,.5928,.5828;-2.8483,-3.4391,-.4906;-4.1087,.8042,-.5619;2.2849,1.5746,1.4728;2.1776,2.2836,-2.2089;-.043,3.7008,-3.3839;-1.6842,1.945,-1.7863;-1.3708,-2.2459,3.1787;1.7479,1.2249,4.2076;-.3707,-2.7075,.504;3.586,3.382,-.1026;.7537,-4.0078,2.6434;3.804,-.2435,2.9342;/R:/0/N:16,4,22,5,19,12,18,7,27,24,28,25,29,14,23,21,10,26,20,2,15,13,17,3,9,8,6,1,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,21.3,22.3</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">149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168</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">-6.404 -6.374 -6.340 -6.254 -6.170 -6.069 -5.824 -5.392 -5.262 -5.243 -2.347 -2.030 -1.939 -1.744 -1.553 -1.432 -1.338 -1.305 -1.119 -0.928</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">0.00000000042814</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00026418791509</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00022846542814</scalar>
               </module>
               <module cmlx:templateRef="qtaim" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="atoms">
                     <array dataType="xsd:integer" dictRef="a:id" size="29">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</array>
                     <array dataType="xsd:integer" dictRef="cc:atomicNumber" size="29">74 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 73 14</array>
                     <array dataType="xsd:double" dictRef="x:coords" size="87">0.146382 -2.388563 2.326774 2.714956 1.885997 -0.428758 -1.555448 -2.357143 -0.975676 -2.939687 0.569657 -1.846940 2.120273 0.232498 2.812523 1.398561 -1.477499 3.480511 0.132189 0.833044 -3.865685 -3.821287 0.957277 -3.318869 3.905083 0.626768 -0.689135 -2.689894 -1.294325 -2.205953 -0.606136 -3.138914 -2.223261 0.698713 -0.506306 1.399823 -1.348506 -0.394938 -0.366213 0.672687 1.331135 -0.558090 -1.093099 1.549429 1.579381 -2.848250 -3.439082 -0.490590 -4.108697 0.804188 -0.561950 2.284886 1.574562 1.472765 2.177597 2.283628 -2.208915 -0.042980 3.700815 -3.383913 -1.684241 1.944970 -1.786332 -1.370790 -2.245936 3.178693 1.747918 1.224939 4.207573 -0.370697 -2.707528 0.504030 3.585976 3.381965 -0.102637 0.753717 -4.007777 2.643375 3.803968 -0.243489 2.934210 0.189010 2.094707 -2.588835 -0.346906 0.592819 0.582795</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">0.146382</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.388563</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.326774</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361416E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">2</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.714956</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.885997</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.428758</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361416E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.555448</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.357143</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.975676</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361416E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">4</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.939687</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.569657</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.846940</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361417E+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">2.120273</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.232498</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.812523</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">6</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.398561</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.477499</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.480511</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189336E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">7</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.132189</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.833044</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.865685</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191312E+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">-3.821287</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.957277</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.318869</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192340E+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">3.905083</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.626768</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.689135</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192636E+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">-2.689894</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.294325</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.205953</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189209E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">11</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.606136</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.138914</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.223261</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192745E+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">0.698713</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.506306</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.399823</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3186927E+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">-1.348506</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.394938</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.366213</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3186382E+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">0.672687</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.331135</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.558090</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3186214E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">15</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.093099</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.549429</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.579381</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188307E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">16</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.848250</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.439082</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.490590</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192685E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">17</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-4.108697</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.804188</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.561950</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192582E+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">2.284886</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.574562</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.472765</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188230E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">19</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.177597</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.283628</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.208915</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189059E+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">-0.042980</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.700815</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.383913</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190895E+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">-1.684241</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.944970</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.786332</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188652E+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">-1.370790</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.245936</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.178693</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192908E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">23</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.747918</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.224939</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">4.207573</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192654E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">24</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.370697</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.707528</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.504030</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188005E+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">3.585976</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.381965</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.102637</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192365E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">26</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.753717</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.007777</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.643375</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192568E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">27</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.803968</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.243489</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.934210</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192617E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">28</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.189010</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.094707</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.588835</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">29</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.346906</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.592819</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.582795</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1943431E+04</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">30</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.258063</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.296429</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.818699</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1731692E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7220307E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3141855E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7879710E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6452960E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6769259E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1692315E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1630961E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5476754E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1840986E-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">0.2672942E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3653569E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9806271E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7128739E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9942826E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7534055E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1657317E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2246954E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7169731E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4545936E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">31</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.041443</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.779557</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.651460</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2353241E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6479824E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4695842E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3936521E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2107364E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8516414E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2129103E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2950704E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7257722E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2611053E-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">0.3994809E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5860515E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1865706E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1073018E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1411648E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1024189E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1901257E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2635529E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7601171E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5386905E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">32</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.929395</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.525638</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.180492</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1427618E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2764654E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2470219E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3154690E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1200754E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6065420E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1516355E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1170245E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4430361E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1316620E-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">0.2130570E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2744785E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6142151E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5510630E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7981789E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6447984E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1580583E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2094090E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6904003E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4079497E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">33</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.375128</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.198013</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.543087</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1224278E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1374792E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7924250E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1101302E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2219226E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5644726E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1411182E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2171945E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7939084E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1286407E+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">0.1127513E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8438435E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2836690E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2083972E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4707882E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2746319E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6558723E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5000469E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4426559E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4187278E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">34</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.429196</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.329362</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.645487</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1045478E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2002478E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3418625E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1853850E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7562988E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4140975E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1035244E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5360381E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3861019E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1038265E+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">0.1356345E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1677447E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3211014E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3637515E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5601355E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4065763E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1122183E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1403379E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6493992E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3623083E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">35</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.751476</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.176052</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.193556</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1224278E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1764579E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1289922E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6927877E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9848277E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6001097E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1500274E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1140721E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3466164E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2761081E-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">0.1866882E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2233490E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3666080E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4489779E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6702637E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6380354E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2037393E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2702200E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6698527E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3131627E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">36</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.659308</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.993648</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.999655</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1700305E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4376099E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1935064E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3093446E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2415856E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1061687E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2654217E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2874894E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3387101E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4200871E-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">0.3267829E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3881440E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6136112E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6956982E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9737855E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1207637E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3172174E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4446199E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7144265E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3806970E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">37</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.888809</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.077771</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.851331</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1243594E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1264305E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7426785E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9866240E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2710505E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5046269E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1261567E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1915747E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9115366E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1364324E+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">0.1032706E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8038439E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2288616E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2127927E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4797309E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2446710E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5528007E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4258375E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4435668E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4426026E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">38</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.136559</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.910734</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.883837</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1482081E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5162663E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4099639E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3080659E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5963112E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6261634E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1565408E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2912685E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9841140E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1357437E+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">0.1300362E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1035316E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2650461E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2688733E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5913046E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3159546E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6412559E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5175364E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4547120E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4927121E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">39</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.158578</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.417112</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.278086</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2098702E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8763282E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3025492E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6618718E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4882016E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7683730E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1920932E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2327385E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6646999E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1427580E-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">0.3408694E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4896456E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1487762E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9211267E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1238125E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8975763E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1781080E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2456445E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7439693E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5039506E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">40</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.422466</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.687828</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.529987</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6956881E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8898088E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8490356E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1492568E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2205008E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2975935E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7439838E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2406862E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2724880E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1086667E+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">0.8338669E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9237500E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8988312E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2113186E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3522164E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2676624E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9058583E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1040054E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5999682E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2954794E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">41</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.064919</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.958729</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.015631</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2038591E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2451705E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1623742E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1273179E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1324136E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7637150E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1909287E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2225360E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6371360E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2330722E-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">0.3300318E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4691348E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1391030E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8861188E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1197669E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8849546E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1774535E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2438556E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7398698E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4986965E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">42</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.160869</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.848921</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.560015</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3637565E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8148393E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6028465E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1019280E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5386556E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1533096E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3832739E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2548311E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1794989E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2000082E+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">0.3701780E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3570822E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1309587E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8901559E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1676922E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1001563E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1644201E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1576594E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5308272E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6091484E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">43</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.645677</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.590175</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.475874</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9228103E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192459E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3082590E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8054097E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2018564E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3600737E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9001843E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3981447E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3606416E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9012335E-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">0.1141196E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1382208E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2410117E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3079888E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4859886E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3428543E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9935960E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1211248E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6337367E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3450641E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">44</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.235575</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.189295</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.375218</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1120692E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3734565E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1466045E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2411228E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2446153E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4573235E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1143309E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6761528E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3925244E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5693661E-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">0.1510167E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1877025E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3668580E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3990555E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6061788E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4612247E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1305082E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1666057E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6583132E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3534066E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">45</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.370003</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.137705</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.074712</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9056588E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4380893E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1168905E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2256835E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3753034E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3406970E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8517424E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3677851E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3694190E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7524917E-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">0.1092245E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1332747E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2405023E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3003801E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4757203E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3229016E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9422597E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1144074E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6314218E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3426885E+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">1.918304</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.769520</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.567781</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2350715E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1465484E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5212302E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1368263E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6179952E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8450962E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2112740E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2929017E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7300854E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2198551E-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">0.3979295E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5845850E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1866555E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1071482E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1409909E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1016295E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1891901E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2624438E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7599659E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5371819E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">47</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.202849</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.934027</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.083370</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1534351E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5937948E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3225840E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4634693E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3697943E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6347521E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1586880E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1326344E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4774012E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1816671E-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">0.2320551E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3054222E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7336709E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6066683E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8663771E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6859147E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1609314E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2150852E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7002359E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4262157E+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">1.029787</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.993245</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.425772</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4138302E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4958269E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2552607E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6231813E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4250264E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1780734E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4451834E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4472305E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1915952E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5723459E+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">0.4389472E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4327111E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6236155E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1057178E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1944411E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1258960E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2829672E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2803751E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5437009E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4449136E+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">3.183774</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.696004</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.251989</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2294320E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1408009E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6697420E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1208831E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2695585E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8404386E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2101097E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2819733E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7050128E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2491198E-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">0.3869564E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5638032E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1768468E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1037346E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1371163E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1003812E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1885463E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2608733E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7565443E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5323952E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">50</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.123397</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.558707</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.308153</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3552365E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5572633E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1336244E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5224533E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1934072E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1425222E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3563056E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2484447E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1856065E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2550237E+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">0.3477581E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3392106E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8547482E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8624656E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1631887E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9378491E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1762127E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1685713E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5285081E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5322256E+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">-2.110208</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.082656</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.081458</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5050060E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1396274E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9137580E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8893909E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5688673E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1932056E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4830141E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9648220E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2460863E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2520929E-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">0.5201147E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5572153E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3710059E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1378628E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2442564E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1582434E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5544131E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5855170E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5644184E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2854250E+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">0.815090</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.890628</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.925906</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1488681E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4962635E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2261632E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4900514E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7493734E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5615592E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1403898E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1147396E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5131219E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7670846E-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">0.2136550E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2869202E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7326519E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5827121E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8371098E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6039229E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1462882E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1953400E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6961000E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4128308E+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">0.417568</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.403848</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.838026</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8267121E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1069586E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2338150E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9144568E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5031037E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3198092E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7995230E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3085812E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3380488E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5870723E-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">0.9834783E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1167434E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1839553E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2659852E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4287902E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2966805E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8995873E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1071210E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6203155E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3297962E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">54</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.724130</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.673575</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.149026</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1337618E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2775277E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1467671E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2141435E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9809997E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5116380E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1279095E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9179124E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4711986E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6753745E-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">0.1857243E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2435391E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5781478E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5052363E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7412286E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5359779E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1364842E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1791995E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6816201E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3927032E+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">3.359959</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.204627</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.570158</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2349918E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8924418E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6089004E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6389989E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1318066E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8418106E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2104526E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2922845E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7325206E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1686323E-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">0.3972366E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5840205E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1867839E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1070998E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1409359E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1012605E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1890996E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2625818E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7599181E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5354878E+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">-0.675360</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.312649</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.789187</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2387784E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3160224E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1780260E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1499587E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2137505E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8517866E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2129466E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3017313E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7434881E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9943969E-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">0.4058366E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5987266E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1928900E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1094070E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1435471E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1029006E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1906746E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2650461E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7621680E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5396661E+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">0.076217</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.895899</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.116448</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1230589E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1618581E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1601817E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1450798E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2319006E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5963915E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1490979E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1145470E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3517791E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3573224E-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">0.1868144E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2245310E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3771657E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4520666E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6741924E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6354371E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2033643E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2701653E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6705304E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3124624E+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">3.031631</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.026431</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.878125</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2340968E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8486125E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6454906E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4983291E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2348470E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8435927E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2108982E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2912012E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7263394E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2089650E-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">0.3959049E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5809116E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1850067E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1065563E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1403200E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1013544E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1893568E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2627443E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7593807E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5352562E+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">-2.151196</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.774413</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.612402</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1299668E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8361299E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2337946E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5140609E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6165993E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5016095E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1254024E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8700640E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4581082E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5405582E-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">0.1793480E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2332937E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5394564E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4862149E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7173717E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5219377E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1348840E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1762892E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6777726E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3869529E+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">-0.799386</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.002435</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.167218</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1053515E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4330413E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1404986E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3346810E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2361643E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4591731E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1147933E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6323312E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3526721E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4936476E-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">0.1440028E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1732124E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2920956E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3674847E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5650351E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4568215E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1334579E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1683978E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6503751E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3422963E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">61</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.479871</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.705895</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.574689</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1283237E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2545311E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5817863E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4800508E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2430985E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5326345E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1331586E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9046839E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4223720E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1377611E-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">0.1825099E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2318611E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4935124E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4780361E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7070719E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5518978E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1425237E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1856737E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6760785E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3872322E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">62</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.409974</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.093198</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.373319</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1603663E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4256466E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1768740E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1015965E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3735890E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6061507E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1515377E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1341159E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5381306E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6630009E-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">0.2369369E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3223361E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8539919E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6434811E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9110374E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6627023E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1528877E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2057631E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7063169E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4334570E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">63</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.477625</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.263056</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.496902</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2311372E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5008057E-08</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1741809E-08</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4608771E-08</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8977536E-09</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8595038E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2148760E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2898037E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6979353E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2729017E-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">0.3931998E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5715237E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1783239E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1047639E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1382861E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1027918E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1912631E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2642409E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7575881E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5374369E+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">-2.795203</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.422712</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.025330</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1541004E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1821932E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3598907E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1770589E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2343731E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5846638E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1461660E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1237647E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5220513E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7170350E-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">0.2246208E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3030757E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7845489E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6101782E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8706513E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6333855E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1497192E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2006111E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7008297E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4230489E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">65</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.134590</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.543369</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.355898</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1462679E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4465778E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9297034E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7206218E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4308077E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6067716E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1516929E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1207621E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4611439E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1952433E-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">0.2177157E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2837385E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6602278E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5691812E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8205037E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6491084E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1576100E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2096637E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6936973E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4118448E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">66</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.256157</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.941915</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.712950</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2340322E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8916588E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6578180E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5488345E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2472076E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8470555E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2117639E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2918998E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7230371E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2388095E-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">0.3963645E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5809651E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1846006E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1065171E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1402755E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1017411E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1897567E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2631295E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7593418E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5361661E+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">0.081890</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.139822</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.915516</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1154467E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9128477E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2975077E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6682431E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6211740E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5424382E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1356096E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9488647E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3477218E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4008223E-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">0.1689970E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2023845E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3338748E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4151709E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6269903E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5675032E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1834443E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2398874E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6621648E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3093600E+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">-3.415660</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.778198</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.642058</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2300634E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9893694E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2981556E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7939070E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5095750E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8625037E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2156259E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2883423E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6901307E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1513395E-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">0.3917674E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5679089E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1761415E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1041154E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1375493E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1029780E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1913388E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2639345E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7569317E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5381970E+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">-3.573429</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.696866</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.151984</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2344506E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1011911E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6887248E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1385926E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7282960E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8369661E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2092415E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2891650E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7339350E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2242028E-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">0.3954438E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5816461E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1862023E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1067711E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1405634E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1005827E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1875178E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2600957E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7595934E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5363901E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <list cmlx:templateRef="bondPaths">
                     <array dataType="xsd:integer" dictRef="a:bondPath" size="34">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</array>
                     <array dataType="xsd:integer" dictRef="a:cp" size="34">52 53 56 65 63 54 39 40 44 41 60 68 55 43 61 62 49 59 31 34 66 32 64 51 69 30 45 47 46 58 67 35 57 36</array>
                     <array dataType="xsd:integer" dictRef="x:atomInx1" size="34">1 1 1 1 1 2 3 3 3 3 3 5 6 6 6 6 6 8 8 8 8 8 9 9 9 9 11 11 11 11 13 14 15 16</array>
                     <array dataType="xsd:integer" dictRef="x:atomInx2" size="34">2 13 24 26 28 11 4 15 21 22 23 9 7 15 20 21 27 10 12 14 18 26 10 14 19 23 13 20 25 29 17 17 17 17</array>
                     <array dataType="xsd:double" dictRef="a:distance" size="34">1.931087 2.169608 1.745830 1.921329 1.758108 1.972604 1.795931 2.222816 2.033350 1.807084 2.043404 1.758989 1.752100 2.120251 1.974270 1.901532 1.761519 1.982456 1.751807 2.065071 1.754206 1.927676 1.914606 2.377994 1.752938 1.863143 2.135975 1.903467 1.752070 1.753910 1.723058 1.696904 1.698911 1.570060</array>
                     <array dataType="xsd:double" dictRef="a:length" size="34">1.931652 2.170190 1.745881 1.921699 1.758132 1.973262 1.795984 2.223459 2.033624 1.807100 2.043654 1.759000 1.752127 2.120908 1.974734 1.902032 1.761532 1.983310 1.751819 2.065647 1.754226 1.928251 1.915003 2.378383 1.752986 1.863403 2.136427 1.904045 1.752090 1.753927 1.723098 1.697233 1.699014 1.570067</array>
                     <array dataType="xsd:double" dictRef="a:steps" size="34">25 25 21 23 22 23 22 25 24 23 24 21 21 25 23 23 20 23 21 25 22 25 23 27 21 22 25 23 23 23 21 23 21 21</array>
                  </list>
               </module>
               <module cmlx:templateRef="mulliken" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="29">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="29">W O Ta O O W O W W O W O O O O O Si O O O O O O O O O O O O</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="29">2.3825 -1.0030 2.0985 -0.9508 -0.8444 2.3655 -0.8369 2.3669 2.3349 -1.0108 2.3484 -0.8250 -1.1302 -1.1266 -1.1426 -1.0422 1.8599 -0.8252 -0.8399 -1.0139 -1.0166 -0.9685 -1.0247 -0.8198 -0.8317 -0.9997 -0.8477 -0.8285 -0.8280</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="29">2.1095 1.9371 2.1241 1.9420 1.9557 2.1181 1.9591 2.1135 2.1194 1.9369 2.1201 1.9604 1.8991 1.8926 1.8912 1.8962 2.4128 1.9584 1.9597 1.9265 1.9344 1.9386 1.9338 1.9625 1.9597 1.9255 1.9564 1.9585 1.9580</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="29">6.1177 5.0317 6.1081 4.9814 4.8562 6.1232 4.8439 6.1258 6.1311 5.0396 6.1271 4.8306 5.1989 5.2064 5.2227 5.1219 7.1408 4.8332 4.8467 5.0560 5.0503 5.0045 5.0586 4.8224 4.8382 5.0435 4.8590 4.8371 4.8365</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="29">3.3631 0.0343 2.6385 0.0274 0.0325 3.3661 0.0340 3.3663 3.3872 0.0344 3.3773 0.0339 0.0322 0.0276 0.0287 0.0242 0.5865 0.0336 0.0334 0.0314 0.0319 0.0253 0.0323 0.0349 0.0338 0.0307 0.0324 0.0329 0.0335</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="29">14.0273 0.0000 14.0307 0.0000 0.0000 14.0272 0.0000 14.0274 14.0273 0.0000 14.0271 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="29">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="29">W O Ta O O W O W W O W O O O O O Si O O O O O O O O O O O O</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="29">2.434802 -0.982763 2.253638 -1.028173 -0.901244 2.426468 -0.884266 2.442975 2.404535 -0.986828 2.424056 -0.870225 -1.036134 -1.052544 -1.048800 -1.107930 1.761030 -0.874878 -0.891069 -1.002742 -1.013985 -1.057349 -1.013015 -0.865995 -0.880133 -0.988478 -0.900134 -0.880860 -0.879956</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="29">1.927336 -0.808372 1.827464 -0.939170 -0.801176 1.926738 -0.772659 1.924332 1.917929 -0.804424 1.916943 -0.769534 -0.762655 -0.766956 -0.754727 -1.099283 1.446296 -0.767276 -0.781343 -0.775195 -0.855951 -0.981227 -0.814006 -0.757094 -0.782182 -0.749848 -0.800201 -0.778840 -0.764918</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="29">2.075997 -0.870032 1.955545 -0.955641 -0.808755 2.093733 -0.791540 2.060041 1.995154 -0.851582 2.028640 -0.764098 -0.856179 -0.883024 -0.905670 -1.091900 1.497332 -0.784688 -0.777159 -0.844146 -0.907203 -0.999516 -0.842446 -0.768913 -0.776320 -0.840958 -0.817362 -0.790080 -0.779234</array>
                  </list>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">0.77498104 -8.11260303 5.65148778</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">9.91737050</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">7.09649870 -35.09915947 -53.51942010 18.50736624 57.28896910 -25.60386494</array>
               </module>
               <module cmlx:templateRef="bonding.energy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-204.6415</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">233.2066</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">-22.9607</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-235.6596</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-33.7660</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-263.8211</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:05  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:05  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:06  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:07  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">Apr16-2024 02:11:09  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:09  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">Apr16-2024 02:11:09  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr16-2024 02:11:10  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">Apr16-2024 02:11:13  Nodes: 1  Procs: 24</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">*** (NO TITLE) ***</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-5</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.58585768</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.65654568</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.67035496</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.68070268</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.68396478</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.68725236</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.68821557</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.68937718</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69009503</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69099562</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69137552</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69167901</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69202896</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69229142</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69282313</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69286448</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69304701</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69321773</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69326368</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69335134</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69331529</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69338711</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69350531</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69358774</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69373513</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69378766</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69390657</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69397566</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69413676</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69419024</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69426775</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69423109</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69443358</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69479113</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69471207</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69448214</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69454516</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69481296</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69499838</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69504341</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69511715</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69516957</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69512617</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69516652</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69519961</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69521171</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69521302</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69523469</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69525940</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69526143</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69526821</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69526523</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69522901</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69524152</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69522942</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.69524815</scalar>
                  <scalar dataType="xsd:string" dictRef="a:converged">GEOMETRY CONVERGED</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
