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                  <array dataType="xsd:double" dictRef="cc:valence" size="4">4.000 6.000 11.000 7.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">246 12 1 3</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-2363.42192937</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-2363.37896444</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-2363.40044691</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-0.6635</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.3229777E-05</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.4058</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">26.8712</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.68607</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="0.00466"
                        xFract="0.00062924"
                        y3="12.88415"
                        yFract="0.47947803"
                        z3="0.71669"
                        zFract="0.03159163"/>
                  <atom elementType="C"
                        id="a2"
                        x3="0.0057"
                        xFract="0.00076967"
                        y3="17.04035"
                        yFract="0.6341492"
                        z3="1.67543"
                        zFract="0.07385281"/>
                  <atom elementType="C"
                        id="a3"
                        x3="0.0076"
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      </module>
   </module>
</module>
