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                  <bond atomRefs2="a135 a136" order="S"/>
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                  <bond atomRefs2="a139 a140" order="S"/>
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                  <bond atomRefs2="a140 a141" order="S"/>
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                  <bond atomRefs2="a145 a146" order="S"/>
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               <parameter dictRef="v:ispin">
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               <parameter dictRef="v:ediffg">
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               <parameter dictRef="v:ldipol">
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               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
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               <parameter dictRef="v:gga">
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               <parameter dictRef="v:lexch">
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               <parameter dictRef="v:voskown">
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               <parameter dictRef="v:lhfcalc">
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               <parameter dictRef="v:lhfone">
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         <module dictRef="cc:calculation" id="calculation"/>
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                  <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>
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                        yFract="0.98218761"
                        z3="1.55618"
                        zFract="0.07073545"/>
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                        y3="10.6545"
                        yFract="0.73267597"
                        z3="1.54004"
                        zFract="0.07000182"/>
                  <atom elementType="Cu"
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                        y3="3.46357"
                        yFract="0.23817866"
                        z3="1.88945"
                        zFract="0.08588409"/>
                  <atom elementType="Cu"
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                        y3="7.07039"
                        yFract="0.48620816"
                        z3="1.77552"
                        zFract="0.08070545"/>
                  <atom elementType="Cu"
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                        yFract="0.98973401"
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                        zFract="0.07367409"/>
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                        yFract="0.74008216"
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                        zFract="0.07352136"/>
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                        z3="1.55552"
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   </module>
</module>
