<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        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:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <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">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">6.4.1</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">05Apr23 (build May 18 2023 13:19:41) complex</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                        id="a1"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a41"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a43"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a51"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a53"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a55"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a58"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a61"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a63"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a65"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a68"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a71"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a73"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a75"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a78"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a42" order="S"/>
                  <bond atomRefs2="a1 a47" order="S"/>
                  <bond atomRefs2="a1 a44" order="S"/>
                  <bond atomRefs2="a1 a46" order="S"/>
                  <bond atomRefs2="a2 a56" order="S"/>
                  <bond atomRefs2="a2 a55" order="S"/>
                  <bond atomRefs2="a2 a51" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a2 a43" order="S"/>
                  <bond atomRefs2="a3 a72" order="S"/>
                  <bond atomRefs2="a3 a77" order="S"/>
                  <bond atomRefs2="a3 a80" order="S"/>
                  <bond atomRefs2="a3 a70" order="S"/>
                  <bond atomRefs2="a4 a69" order="S"/>
                  <bond atomRefs2="a4 a70" order="S"/>
                  <bond atomRefs2="a4 a64" order="S"/>
                  <bond atomRefs2="a4 a62" order="S"/>
                  <bond atomRefs2="a4 a72" order="S"/>
                  <bond atomRefs2="a5 a79" order="S"/>
                  <bond atomRefs2="a5 a74" order="S"/>
                  <bond atomRefs2="a5 a76" order="S"/>
                  <bond atomRefs2="a5 a73" order="S"/>
                  <bond atomRefs2="a5 a59" order="S"/>
                  <bond atomRefs2="a6 a49" order="S"/>
                  <bond atomRefs2="a6 a42" order="S"/>
                  <bond atomRefs2="a6 a46" order="S"/>
                  <bond atomRefs2="a6 a41" order="S"/>
                  <bond atomRefs2="a6 a66" order="S"/>
                  <bond atomRefs2="a7 a62" order="S"/>
                  <bond atomRefs2="a7 a67" order="S"/>
                  <bond atomRefs2="a7 a70" order="S"/>
                  <bond atomRefs2="a8 a48" order="S"/>
                  <bond atomRefs2="a8 a43" order="S"/>
                  <bond atomRefs2="a8 a41" order="S"/>
                  <bond atomRefs2="a8 a49" order="S"/>
                  <bond atomRefs2="a8 a63" order="S"/>
                  <bond atomRefs2="a8 a51" order="S"/>
                  <bond atomRefs2="a9 a58" order="S"/>
                  <bond atomRefs2="a9 a53" order="S"/>
                  <bond atomRefs2="a9 a55" order="S"/>
                  <bond atomRefs2="a10 a41" order="S"/>
                  <bond atomRefs2="a10 a45" order="S"/>
                  <bond atomRefs2="a10 a48" order="S"/>
                  <bond atomRefs2="a10 a65" order="S"/>
                  <bond atomRefs2="a11 a66" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a11 a61" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a63" order="S"/>
                  <bond atomRefs2="a11 a41" order="S"/>
                  <bond atomRefs2="a12 a62" order="S"/>
                  <bond atomRefs2="a12 a67" order="S"/>
                  <bond atomRefs2="a12 a64" order="S"/>
                  <bond atomRefs2="a12 a66" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a12 a42" order="S"/>
                  <bond atomRefs2="a13 a78" order="S"/>
                  <bond atomRefs2="a13 a73" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a75" order="S"/>
                  <bond atomRefs2="a13 a58" order="S"/>
                  <bond atomRefs2="a14 a48" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a45" order="S"/>
                  <bond atomRefs2="a14 a55" order="S"/>
                  <bond atomRefs2="a15 a78" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a71" order="S"/>
                  <bond atomRefs2="a15 a75" order="S"/>
                  <bond atomRefs2="a15 a68" order="S"/>
                  <bond atomRefs2="a16 a54" order="S"/>
                  <bond atomRefs2="a16 a60" order="S"/>
                  <bond atomRefs2="a16 a57" order="S"/>
                  <bond atomRefs2="a17 a44" order="S"/>
                  <bond atomRefs2="a17 a50" order="S"/>
                  <bond atomRefs2="a17 a47" order="S"/>
                  <bond atomRefs2="a17 a57" order="S"/>
                  <bond atomRefs2="a18 a78" order="S"/>
                  <bond atomRefs2="a18 a73" order="S"/>
                  <bond atomRefs2="a18 a71" order="S"/>
                  <bond atomRefs2="a18 a79" order="S"/>
                  <bond atomRefs2="a19 a74" order="S"/>
                  <bond atomRefs2="a19 a80" order="S"/>
                  <bond atomRefs2="a19 a77" order="S"/>
                  <bond atomRefs2="a19 a60" order="S"/>
                  <bond atomRefs2="a20 a69" order="S"/>
                  <bond atomRefs2="a20 a64" order="S"/>
                  <bond atomRefs2="a20 a63" order="S"/>
                  <bond atomRefs2="a20 a66" order="S"/>
                  <bond atomRefs2="a20 a49" order="S"/>
                  <bond atomRefs2="a20 a76" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a21 a46" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a22 a69" order="S"/>
                  <bond atomRefs2="a22 a62" order="S"/>
                  <bond atomRefs2="a22 a61" order="S"/>
                  <bond atomRefs2="a22 a66" order="S"/>
                  <bond atomRefs2="a23 a72" order="S"/>
                  <bond atomRefs2="a23 a77" order="S"/>
                  <bond atomRefs2="a23 a74" order="S"/>
                  <bond atomRefs2="a23 a76" order="S"/>
                  <bond atomRefs2="a23 a52" order="S"/>
                  <bond atomRefs2="a23 a64" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a24 a60" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a24 a52" order="S"/>
                  <bond atomRefs2="a24 a74" order="S"/>
                  <bond atomRefs2="a25 a68" order="S"/>
                  <bond atomRefs2="a25 a63" order="S"/>
                  <bond atomRefs2="a25 a65" order="S"/>
                  <bond atomRefs2="a25 a48" order="S"/>
                  <bond atomRefs2="a25 a75" order="S"/>
                  <bond atomRefs2="a26 a51" order="S"/>
                  <bond atomRefs2="a26 a55" order="S"/>
                  <bond atomRefs2="a26 a58" order="S"/>
                  <bond atomRefs2="a26 a75" order="S"/>
                  <bond atomRefs2="a26 a48" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a27 a65" order="S"/>
                  <bond atomRefs2="a27 a68" order="S"/>
                  <bond atomRefs2="a28 a49" order="S"/>
                  <bond atomRefs2="a28 a50" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a28 a64" order="S"/>
                  <bond atomRefs2="a28 a52" order="S"/>
                  <bond atomRefs2="a29 a59" order="S"/>
                  <bond atomRefs2="a29 a52" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a29 a76" order="S"/>
                  <bond atomRefs2="a29 a49" order="S"/>
                  <bond atomRefs2="a30 a76" order="S"/>
                  <bond atomRefs2="a30 a73" order="S"/>
                  <bond atomRefs2="a30 a75" order="S"/>
                  <bond atomRefs2="a30 a71" order="S"/>
                  <bond atomRefs2="a30 a51" order="S"/>
                  <bond atomRefs2="a30 a63" order="S"/>
                  <bond atomRefs2="a31 a59" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a53" order="S"/>
                  <bond atomRefs2="a31 a56" order="S"/>
                  <bond atomRefs2="a32 a52" order="S"/>
                  <bond atomRefs2="a32 a57" order="S"/>
                  <bond atomRefs2="a32 a54" order="S"/>
                  <bond atomRefs2="a32 a56" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a68" order="S"/>
                  <bond atomRefs2="a33 a63" order="S"/>
                  <bond atomRefs2="a33 a61" order="S"/>
                  <bond atomRefs2="a33 a69" order="S"/>
                  <bond atomRefs2="a33 a71" order="S"/>
                  <bond atomRefs2="a34 a79" order="S"/>
                  <bond atomRefs2="a34 a72" order="S"/>
                  <bond atomRefs2="a34 a76" order="S"/>
                  <bond atomRefs2="a34 a71" order="S"/>
                  <bond atomRefs2="a34 a69" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a50" order="S"/>
                  <bond atomRefs2="a35 a67" order="S"/>
                  <bond atomRefs2="a36 a46" order="S"/>
                  <bond atomRefs2="a36 a41" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a37 a64" order="S"/>
                  <bond atomRefs2="a37 a70" order="S"/>
                  <bond atomRefs2="a37 a67" order="S"/>
                  <bond atomRefs2="a37 a50" order="S"/>
                  <bond atomRefs2="a37 a77" order="S"/>
                  <bond atomRefs2="a38 a79" order="S"/>
                  <bond atomRefs2="a38 a80" order="S"/>
                  <bond atomRefs2="a38 a74" order="S"/>
                  <bond atomRefs2="a38 a72" order="S"/>
                  <bond atomRefs2="a39 a58" order="S"/>
                  <bond atomRefs2="a39 a53" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a39 a59" order="S"/>
                  <bond atomRefs2="a39 a73" order="S"/>
                  <bond atomRefs2="a40 a52" order="S"/>
                  <bond atomRefs2="a40 a57" order="S"/>
                  <bond atomRefs2="a40 a60" order="S"/>
                  <bond atomRefs2="a40 a77" order="S"/>
                  <bond atomRefs2="a40 a50" order="S"/>
               </bondArray>
               <formula concise="Cu10Mg10Ni10O40Zn10">
                  <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2759.510000000007</scalar>
               </property>
            </molecule>
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                        id="a1"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a41"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a43"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a51"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a53"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a55"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a58"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a61"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a63"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a65"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a68"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a71"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a73"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a75"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a78"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a42" order="S"/>
                  <bond atomRefs2="a1 a47" order="S"/>
                  <bond atomRefs2="a1 a44" order="S"/>
                  <bond atomRefs2="a1 a46" order="S"/>
                  <bond atomRefs2="a2 a56" order="S"/>
                  <bond atomRefs2="a2 a55" order="S"/>
                  <bond atomRefs2="a2 a51" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a2 a43" order="S"/>
                  <bond atomRefs2="a3 a72" order="S"/>
                  <bond atomRefs2="a3 a77" order="S"/>
                  <bond atomRefs2="a3 a80" order="S"/>
                  <bond atomRefs2="a3 a70" order="S"/>
                  <bond atomRefs2="a4 a69" order="S"/>
                  <bond atomRefs2="a4 a70" order="S"/>
                  <bond atomRefs2="a4 a64" order="S"/>
                  <bond atomRefs2="a4 a62" order="S"/>
                  <bond atomRefs2="a4 a72" order="S"/>
                  <bond atomRefs2="a5 a79" order="S"/>
                  <bond atomRefs2="a5 a74" order="S"/>
                  <bond atomRefs2="a5 a76" order="S"/>
                  <bond atomRefs2="a5 a73" order="S"/>
                  <bond atomRefs2="a5 a59" order="S"/>
                  <bond atomRefs2="a6 a49" order="S"/>
                  <bond atomRefs2="a6 a42" order="S"/>
                  <bond atomRefs2="a6 a46" order="S"/>
                  <bond atomRefs2="a6 a41" order="S"/>
                  <bond atomRefs2="a6 a66" order="S"/>
                  <bond atomRefs2="a7 a62" order="S"/>
                  <bond atomRefs2="a7 a67" order="S"/>
                  <bond atomRefs2="a7 a70" order="S"/>
                  <bond atomRefs2="a8 a48" order="S"/>
                  <bond atomRefs2="a8 a43" order="S"/>
                  <bond atomRefs2="a8 a41" order="S"/>
                  <bond atomRefs2="a8 a49" order="S"/>
                  <bond atomRefs2="a8 a63" order="S"/>
                  <bond atomRefs2="a8 a51" order="S"/>
                  <bond atomRefs2="a9 a58" order="S"/>
                  <bond atomRefs2="a9 a53" order="S"/>
                  <bond atomRefs2="a9 a55" order="S"/>
                  <bond atomRefs2="a10 a41" order="S"/>
                  <bond atomRefs2="a10 a45" order="S"/>
                  <bond atomRefs2="a10 a48" order="S"/>
                  <bond atomRefs2="a10 a65" order="S"/>
                  <bond atomRefs2="a11 a66" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a11 a61" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a63" order="S"/>
                  <bond atomRefs2="a11 a41" order="S"/>
                  <bond atomRefs2="a12 a62" order="S"/>
                  <bond atomRefs2="a12 a67" order="S"/>
                  <bond atomRefs2="a12 a64" order="S"/>
                  <bond atomRefs2="a12 a66" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a12 a42" order="S"/>
                  <bond atomRefs2="a13 a78" order="S"/>
                  <bond atomRefs2="a13 a73" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a75" order="S"/>
                  <bond atomRefs2="a13 a58" order="S"/>
                  <bond atomRefs2="a14 a48" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a45" order="S"/>
                  <bond atomRefs2="a14 a55" order="S"/>
                  <bond atomRefs2="a15 a78" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a71" order="S"/>
                  <bond atomRefs2="a15 a75" order="S"/>
                  <bond atomRefs2="a15 a68" order="S"/>
                  <bond atomRefs2="a16 a54" order="S"/>
                  <bond atomRefs2="a16 a60" order="S"/>
                  <bond atomRefs2="a16 a57" order="S"/>
                  <bond atomRefs2="a17 a44" order="S"/>
                  <bond atomRefs2="a17 a50" order="S"/>
                  <bond atomRefs2="a17 a47" order="S"/>
                  <bond atomRefs2="a17 a57" order="S"/>
                  <bond atomRefs2="a18 a78" order="S"/>
                  <bond atomRefs2="a18 a73" order="S"/>
                  <bond atomRefs2="a18 a71" order="S"/>
                  <bond atomRefs2="a18 a79" order="S"/>
                  <bond atomRefs2="a19 a74" order="S"/>
                  <bond atomRefs2="a19 a80" order="S"/>
                  <bond atomRefs2="a19 a77" order="S"/>
                  <bond atomRefs2="a19 a60" order="S"/>
                  <bond atomRefs2="a20 a69" order="S"/>
                  <bond atomRefs2="a20 a64" order="S"/>
                  <bond atomRefs2="a20 a63" order="S"/>
                  <bond atomRefs2="a20 a66" order="S"/>
                  <bond atomRefs2="a20 a49" order="S"/>
                  <bond atomRefs2="a20 a76" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a21 a46" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a22 a69" order="S"/>
                  <bond atomRefs2="a22 a62" order="S"/>
                  <bond atomRefs2="a22 a61" order="S"/>
                  <bond atomRefs2="a22 a66" order="S"/>
                  <bond atomRefs2="a23 a72" order="S"/>
                  <bond atomRefs2="a23 a77" order="S"/>
                  <bond atomRefs2="a23 a74" order="S"/>
                  <bond atomRefs2="a23 a76" order="S"/>
                  <bond atomRefs2="a23 a52" order="S"/>
                  <bond atomRefs2="a23 a64" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a24 a60" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a24 a52" order="S"/>
                  <bond atomRefs2="a24 a74" order="S"/>
                  <bond atomRefs2="a25 a68" order="S"/>
                  <bond atomRefs2="a25 a63" order="S"/>
                  <bond atomRefs2="a25 a65" order="S"/>
                  <bond atomRefs2="a25 a48" order="S"/>
                  <bond atomRefs2="a25 a75" order="S"/>
                  <bond atomRefs2="a26 a51" order="S"/>
                  <bond atomRefs2="a26 a55" order="S"/>
                  <bond atomRefs2="a26 a58" order="S"/>
                  <bond atomRefs2="a26 a75" order="S"/>
                  <bond atomRefs2="a26 a48" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a27 a65" order="S"/>
                  <bond atomRefs2="a27 a68" order="S"/>
                  <bond atomRefs2="a28 a49" order="S"/>
                  <bond atomRefs2="a28 a50" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a28 a64" order="S"/>
                  <bond atomRefs2="a28 a52" order="S"/>
                  <bond atomRefs2="a29 a59" order="S"/>
                  <bond atomRefs2="a29 a52" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a29 a76" order="S"/>
                  <bond atomRefs2="a29 a49" order="S"/>
                  <bond atomRefs2="a30 a76" order="S"/>
                  <bond atomRefs2="a30 a73" order="S"/>
                  <bond atomRefs2="a30 a75" order="S"/>
                  <bond atomRefs2="a30 a71" order="S"/>
                  <bond atomRefs2="a30 a51" order="S"/>
                  <bond atomRefs2="a30 a63" order="S"/>
                  <bond atomRefs2="a31 a59" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a53" order="S"/>
                  <bond atomRefs2="a31 a56" order="S"/>
                  <bond atomRefs2="a32 a52" order="S"/>
                  <bond atomRefs2="a32 a57" order="S"/>
                  <bond atomRefs2="a32 a54" order="S"/>
                  <bond atomRefs2="a32 a56" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a68" order="S"/>
                  <bond atomRefs2="a33 a63" order="S"/>
                  <bond atomRefs2="a33 a61" order="S"/>
                  <bond atomRefs2="a33 a69" order="S"/>
                  <bond atomRefs2="a33 a71" order="S"/>
                  <bond atomRefs2="a34 a79" order="S"/>
                  <bond atomRefs2="a34 a72" order="S"/>
                  <bond atomRefs2="a34 a76" order="S"/>
                  <bond atomRefs2="a34 a71" order="S"/>
                  <bond atomRefs2="a34 a69" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a50" order="S"/>
                  <bond atomRefs2="a35 a67" order="S"/>
                  <bond atomRefs2="a36 a46" order="S"/>
                  <bond atomRefs2="a36 a41" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a37 a64" order="S"/>
                  <bond atomRefs2="a37 a70" order="S"/>
                  <bond atomRefs2="a37 a67" order="S"/>
                  <bond atomRefs2="a37 a50" order="S"/>
                  <bond atomRefs2="a37 a77" order="S"/>
                  <bond atomRefs2="a38 a79" order="S"/>
                  <bond atomRefs2="a38 a80" order="S"/>
                  <bond atomRefs2="a38 a74" order="S"/>
                  <bond atomRefs2="a38 a72" order="S"/>
                  <bond atomRefs2="a39 a58" order="S"/>
                  <bond atomRefs2="a39 a53" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a39 a59" order="S"/>
                  <bond atomRefs2="a39 a73" order="S"/>
                  <bond atomRefs2="a40 a52" order="S"/>
                  <bond atomRefs2="a40 a57" order="S"/>
                  <bond atomRefs2="a40 a60" order="S"/>
                  <bond atomRefs2="a40 a77" order="S"/>
                  <bond atomRefs2="a40 a50" order="S"/>
               </bondArray>
               <formula concise="Cu10Mg10Ni10O40Zn10">
                  <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2759.510000000007</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.5000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">590.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.02</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">--</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:libxc">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="5">PAW_PBE Ni 02Aug2007|PAW_PBE Mg 13Apr2007|PAW_PBE Cu 22Jun2005|PAW_PBE Zn 06Sep2000|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="5">Ni Mg Cu Zn O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">58.690 24.305 63.546 65.390 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">10.000 2.000 11.000 12.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">10 10 10 10 40</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>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="768">-18.9206 -18.6421 -18.5250 -18.4152 -18.2961 -18.1753 -18.1075 -18.0711 -18.0252 -17.9603 -17.9451 -17.9090 -17.8732 -17.8350 -17.8092 -17.7905 -17.7688 -17.7359 -17.7011 -17.6629 -17.6420 -17.6235 -17.5872 -17.5403 -17.4769 -17.4629 -17.4041 -17.3816 -17.2878 -17.2629 -17.2383 -17.2342 -17.1535 -17.1328 -17.1084 -17.1043 -17.0080 -16.9928 -16.9912 -16.8492 -6.9591 -6.9331 -6.8692 -6.8384 -6.5498 -6.5188 -6.4714 -6.4461 -6.4217 -6.3715 -6.3425 -6.2915 -6.2594 -6.2424 -6.2193 -6.1997 -6.1762 -6.1406 -6.1085 -6.0623 -6.0451 -6.0072 -5.9940 -5.9643 -5.9503 -5.9183 -5.8970 -5.8742 -5.8641 -5.8335 -5.8284 -5.7973 -5.7847 -5.7575 -5.7390 -5.7301 -5.7139 -5.6816 -5.6680 -5.6490 -5.6313 -5.6248 -5.6022 -5.5754 -5.5601 -5.5411 -5.5292 -5.5170 -5.4967 -5.4607 -5.4366 -5.4266 -5.4010 -5.3750 -5.3392 -5.3125 -5.2923 -5.2684 -5.2393 -5.1758 -5.1282 -5.1085 -5.0969 -5.0819 -5.0628 -5.0111 -4.9810 -4.9609 -4.9184 -4.8930 -4.8584 -4.8212 -4.7914 -4.7397 -4.7081 -4.6823 -4.6505 -4.6147 -4.5988 -4.5674 -4.5207 -4.4953 -4.4685 -4.4472 -4.4139 -4.3813 -4.3582 -4.3078 -4.2881 -4.2347 -4.2216 -4.1810 -4.1722 -4.1592 -4.1176 -4.0976 -4.0753 -4.0480 -4.0329 -4.0150 -3.9828 -3.9569 -3.9151 -3.8897 -3.8645 -3.8419 -3.8252 -3.7934 -3.7687 -3.7383 -3.6986 -3.6728 -3.6483 -3.6406 -3.6153 -3.5574 -3.5355 -3.5051 -3.4870 -3.4608 -3.4207 -3.3985 -3.3694 -3.3370 -3.3055 -3.2787 -3.2574 -3.2340 -3.1994 -3.1643 -3.1065 -3.0709 -3.0332 -3.0222 -2.9707 -2.9479 -2.9112 -2.8861 -2.8413 -2.8199 -2.7790 -2.7502 -2.7012 -2.6634 -2.6274 -2.5746 -2.5488 -2.5317 -2.4700 -2.4608 -2.4356 -2.3983 -2.3576 -2.3226 -2.2815 -2.2487 -2.2283 -2.1722 -2.1528 -2.0961 -2.0635 -2.0121 -1.9292 -1.8927 -1.8585 -1.8153 -1.7993 -1.7388 -1.6989 -1.6782 -1.6636 -1.5959 -1.5745 -1.5474 -1.5156 -1.4689 -1.4508 -1.4349 -1.4010 -1.3658 -1.3446 -1.3330 -1.3032 -1.2831 -1.2743 -1.2528 -1.2417 -1.2164 -1.2130 -1.1867 -1.1828 -1.1616 -1.1461 -1.1323 -1.1133 -1.1093 -1.0958 -1.0796 -1.0697 -1.0431 -1.0289 -1.0196 -1.0105 -1.0034 -0.9891 -0.9770 -0.9695 -0.9564 -0.9300 -0.9223 -0.9049 -0.8881 -0.8719 -0.8642 -0.8451 -0.8348 -0.8280 -0.8118 -0.7982 -0.7815 -0.7602 -0.7458 -0.7366 -0.7195 -0.6975 -0.6828 -0.6574 -0.6378 -0.6158 -0.6011 -0.5712 -0.5492 -0.5119 -0.5005 -0.4748 -0.4437 -0.4232 -0.4069 -0.3797 -0.3549 -0.3247 -0.2846 -0.2697 -0.2328 -0.2052 -0.1827 -0.1459 -0.1220 -0.0907 -0.0496 -0.0266 0.0382 0.0483 0.0844 0.2096 0.2912 0.3382 0.3862 0.4782 0.5138 0.5249 0.5537 0.5810 0.6252 0.7634 0.7856 0.9796 1.1939 1.3006 1.5301 2.2510 2.7855 3.6190 3.7759 3.8962 4.1739 4.2053 4.5560 4.7225 4.7694 4.8299 4.9536 5.0298 5.0608 5.3369 5.5465 5.6020 5.6989 5.7399 5.7951 5.8562 5.8824 5.9392 5.9870 6.0163 6.0688 6.1327 6.1946 6.3207 6.3951 6.5229 6.5878 6.6590 6.7362 6.7890 6.8260 6.9174 6.9572 7.0227 7.0675 7.1191 7.2379 7.2634 7.3511 7.4683 7.5396 7.5921 7.7097 7.7681 7.8604 7.9242 7.9768 8.0694 8.1562 8.2226 8.3399 8.3604 8.4012 8.4495 8.5607 8.6034 8.7120 8.7512 8.8015 8.8484 8.8701 8.9352 8.9816 9.0092 9.0786 9.1083 9.2016 9.2495 9.3204 -18.9215 -18.6333 -18.5351 -18.4133 -18.2992 -18.1794 -18.1105 -18.0588 -18.0199 -17.9589 -17.9419 -17.9137 -17.8727 -17.8395 -17.8127 -17.7930 -17.7733 -17.7344 -17.6858 -17.6751 -17.6479 -17.6149 -17.5809 -17.5453 -17.4826 -17.4746 -17.3951 -17.3283 -17.3235 -17.2976 -17.2226 -17.2135 -17.1742 -17.1550 -17.0933 -17.0708 -17.0327 -16.9968 -16.9800 -16.8496 -6.9644 -6.9306 -6.8527 -6.8431 -6.5529 -6.5007 -6.4618 -6.4418 -6.4166 -6.3886 -6.3416 -6.3130 -6.2799 -6.2555 -6.2053 -6.1797 -6.1565 -6.1333 -6.1031 -6.0792 -6.0502 -6.0285 -5.9958 -5.9775 -5.9664 -5.9229 -5.9037 -5.8830 -5.8778 -5.8513 -5.8238 -5.8128 -5.7719 -5.7612 -5.7543 -5.7237 -5.7076 -5.6992 -5.6812 -5.6531 -5.6456 -5.6117 -5.5954 -5.5752 -5.5575 -5.5255 -5.5118 -5.4970 -5.4748 -5.4428 -5.4198 -5.3945 -5.3826 -5.3711 -5.3381 -5.3001 -5.2760 -5.2525 -5.2254 -5.1862 -5.1541 -5.1313 -5.1003 -5.0640 -5.0203 -4.9935 -4.9685 -4.9585 -4.9376 -4.8971 -4.8748 -4.8273 -4.7967 -4.7698 -4.7345 -4.6804 -4.6421 -4.6181 -4.5933 -4.5829 -4.5397 -4.5182 -4.4904 -4.4645 -4.4082 -4.3969 -4.3670 -4.3266 -4.2858 -4.2442 -4.2339 -4.1787 -4.1621 -4.1440 -4.1258 -4.0912 -4.0727 -4.0465 -4.0274 -3.9818 -3.9550 -3.9485 -3.9349 -3.8729 -3.8673 -3.8406 -3.7998 -3.7853 -3.7747 -3.7152 -3.6947 -3.6803 -3.6684 -3.6259 -3.6135 -3.5900 -3.5560 -3.5259 -3.5081 -3.4517 -3.4243 -3.3825 -3.3526 -3.3002 -3.2676 -3.2530 -3.2315 -3.2050 -3.1754 -3.1507 -3.1151 -3.0858 -3.0681 -3.0383 -3.0126 -2.9643 -2.9051 -2.8806 -2.8655 -2.8312 -2.7783 -2.7457 -2.6926 -2.6593 -2.6198 -2.5818 -2.5610 -2.5118 -2.4996 -2.4702 -2.4500 -2.3948 -2.3549 -2.3341 -2.3245 -2.2521 -2.2058 -2.1786 -2.1419 -2.1011 -2.0549 -2.0056 -1.9473 -1.9130 -1.8485 -1.8248 -1.7971 -1.7440 -1.7117 -1.6614 -1.6285 -1.5872 -1.5766 -1.5348 -1.5081 -1.4861 -1.4475 -1.4200 -1.3870 -1.3767 -1.3408 -1.3260 -1.3000 -1.2894 -1.2646 -1.2507 -1.2416 -1.2330 -1.2157 -1.2000 -1.1846 -1.1647 -1.1428 -1.1171 -1.1152 -1.0977 -1.0849 -1.0783 -1.0618 -1.0507 -1.0362 -1.0190 -1.0132 -1.0021 -0.9949 -0.9790 -0.9667 -0.9448 -0.9324 -0.9182 -0.9063 -0.8986 -0.8825 -0.8599 -0.8487 -0.8423 -0.8257 -0.8119 -0.8052 -0.7800 -0.7718 -0.7443 -0.7334 -0.7082 -0.6930 -0.6670 -0.6601 -0.6378 -0.6100 -0.5921 -0.5696 -0.5570 -0.5334 -0.5142 -0.4907 -0.4466 -0.4221 -0.4026 -0.3697 -0.3473 -0.3125 -0.2778 -0.2463 -0.2340 -0.2238 -0.1664 -0.1377 -0.1158 -0.0883 -0.0445 -0.0328 0.0198 0.0485 0.0800 0.2132 0.2830 0.3396 0.3826 0.4729 0.5083 0.5345 0.5558 0.5846 0.6263 0.7532 0.7777 0.9802 1.2004 1.3013 1.5233 2.2513 2.7827 3.6397 3.7383 3.9084 4.1224 4.2557 4.5782 4.7097 4.7719 4.8271 4.9804 5.0162 5.0430 5.3557 5.5168 5.6706 5.7020 5.7639 5.7891 5.8317 5.8642 5.9184 5.9765 6.0356 6.0703 6.1097 6.1771 6.2455 6.4752 6.5034 6.5707 6.6977 6.7512 6.7782 6.8382 6.8544 6.9593 7.0316 7.0877 7.1761 7.2222 7.3016 7.4003 7.4575 7.4833 7.5737 7.6754 7.8024 7.8661 7.9225 7.9470 8.0773 8.1320 8.2076 8.2989 8.3865 8.4249 8.5033 8.5186 8.6129 8.6684 8.7391 8.7753 8.8255 8.8807 8.9760 9.0154 9.0449 9.0641 9.1041 9.2272 9.2540 9.3136</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="768">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.97616 0.88405 0.20131 0.00281 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99106 0.69810 0.16070 0.00124 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">2</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="768">-18.8698 -18.5566 -18.4609 -18.3898 -18.2100 -18.1197 -18.0945 -18.0174 -17.9753 -17.9493 -17.9050 -17.8368 -17.8106 -17.7936 -17.7450 -17.7086 -17.6923 -17.6585 -17.6298 -17.6050 -17.5751 -17.5362 -17.4739 -17.4516 -17.3898 -17.3237 -17.3012 -17.2760 -17.2024 -17.1494 -17.1202 -17.1045 -17.0488 -17.0282 -16.9977 -16.9954 -16.9233 -16.8980 -16.8788 -16.7653 -6.9305 -6.8913 -6.8236 -6.7960 -6.4960 -6.4619 -6.4373 -6.4201 -6.3835 -6.3355 -6.2981 -6.2507 -6.2211 -6.2062 -6.1827 -6.1600 -6.1360 -6.0990 -6.0695 -6.0243 -5.9986 -5.9645 -5.9593 -5.9294 -5.9105 -5.8838 -5.8655 -5.8312 -5.8206 -5.8050 -5.7856 -5.7692 -5.7378 -5.7236 -5.7061 -5.6829 -5.6723 -5.6590 -5.6423 -5.6162 -5.6077 -5.5848 -5.5625 -5.5401 -5.5211 -5.5022 -5.4891 -5.4749 -5.4588 -5.4188 -5.4002 -5.3784 -5.3453 -5.3347 -5.2969 -5.2698 -5.2575 -5.2295 -5.1954 -5.1115 -5.0759 -5.0474 -5.0343 -5.0226 -5.0041 -4.9683 -4.9304 -4.8972 -4.8642 -4.8063 -4.7926 -4.7479 -4.7057 -4.6585 -4.6371 -4.6235 -4.5671 -4.5590 -4.5219 -4.4691 -4.4311 -4.4108 -4.3731 -4.3423 -4.2768 -4.2578 -4.2177 -4.2012 -4.1548 -4.1367 -4.0768 -4.0555 -4.0439 -4.0183 -3.9804 -3.9477 -3.9287 -3.8992 -3.8626 -3.8427 -3.7910 -3.7843 -3.7303 -3.6935 -3.6493 -3.6310 -3.6035 -3.5732 -3.5390 -3.5341 -3.4876 -3.4716 -3.4590 -3.4395 -3.4053 -3.3796 -3.3485 -3.3189 -3.2919 -3.2687 -3.2583 -3.2383 -3.1959 -3.1828 -3.1640 -3.1102 -3.0942 -3.0520 -3.0009 -2.9671 -2.9403 -2.9205 -2.8889 -2.8487 -2.8145 -2.7871 -2.7434 -2.7037 -2.6967 -2.6670 -2.6282 -2.5800 -2.5315 -2.5230 -2.4886 -2.4567 -2.4118 -2.3749 -2.3561 -2.3326 -2.2914 -2.2356 -2.2077 -2.1915 -2.1197 -2.0956 -2.0821 -1.9998 -1.9539 -1.9269 -1.9030 -1.8484 -1.7910 -1.7671 -1.7306 -1.6874 -1.6606 -1.6324 -1.6061 -1.5932 -1.5538 -1.5164 -1.4817 -1.4332 -1.4108 -1.3783 -1.3480 -1.3268 -1.3153 -1.2818 -1.2748 -1.2254 -1.2098 -1.1853 -1.1688 -1.1561 -1.1315 -1.0946 -1.0603 -1.0483 -1.0159 -0.9973 -0.9687 -0.9559 -0.9399 -0.9288 -0.9018 -0.8863 -0.8807 -0.8622 -0.8490 -0.8179 -0.7941 -0.7608 -0.7365 -0.7054 -0.6856 -0.6696 -0.6233 -0.5650 -0.5036 -0.4653 -0.4421 -0.4260 -0.3849 -0.3660 -0.3203 -0.3131 -0.2977 -0.2658 -0.2470 -0.2385 -0.2187 -0.1939 -0.1743 -0.1607 -0.1419 -0.1330 -0.1179 -0.0896 -0.0727 -0.0506 -0.0250 -0.0070 0.0060 0.0222 0.0417 0.0582 0.0771 0.0906 0.1152 0.1477 0.1583 0.1971 0.2174 0.2231 0.2565 0.3037 0.3727 0.5626 0.7309 0.8080 0.9804 1.0052 1.1596 1.1952 1.2642 1.3065 1.3979 1.4287 1.5424 1.5901 1.6505 1.6754 1.6991 1.7132 1.7397 1.8584 1.8749 2.0316 2.3385 2.8660 3.6972 3.8521 4.0259 4.2492 4.3222 4.6373 4.7906 4.8433 4.8914 5.0302 5.1350 5.1609 5.4124 5.5974 5.6757 5.7946 5.8121 5.8871 5.9143 5.9940 6.0334 6.1172 6.1456 6.1759 6.2594 6.2748 6.3994 6.4723 6.5902 6.6512 6.7281 6.8107 6.8655 6.8905 6.9687 7.0216 7.0900 7.1460 7.2172 7.3029 7.3323 7.4167 7.5449 7.6134 7.6772 7.7608 7.8382 7.9346 8.0284 8.0627 8.1498 8.2386 8.3104 8.4132 8.4295 8.4617 8.5265 8.6339 8.6826 8.8060 8.8216 8.8644 8.9338 8.9508 9.0203 9.0521 9.0915 9.1567 9.2050 9.2802 9.3195 9.3990 -18.8705 -18.5428 -18.4755 -18.3942 -18.2021 -18.1257 -18.0934 -18.0076 -17.9796 -17.9426 -17.9066 -17.8523 -17.8107 -17.7870 -17.7376 -17.7184 -17.6900 -17.6603 -17.6250 -17.6066 -17.5740 -17.5381 -17.4708 -17.4539 -17.3888 -17.3320 -17.2927 -17.2773 -17.1907 -17.1486 -17.1268 -17.1203 -17.0527 -17.0161 -16.9979 -16.9838 -16.9423 -16.8858 -16.8803 -16.7665 -6.9284 -6.8960 -6.8106 -6.7975 -6.5030 -6.4446 -6.4264 -6.4136 -6.3810 -6.3427 -6.3037 -6.2682 -6.2386 -6.2218 -6.1565 -6.1279 -6.1115 -6.0998 -6.0750 -6.0409 -6.0176 -5.9850 -5.9720 -5.9446 -5.9184 -5.8773 -5.8684 -5.8554 -5.8315 -5.8065 -5.7852 -5.7696 -5.7450 -5.7357 -5.7214 -5.6936 -5.6767 -5.6607 -5.6452 -5.6313 -5.6068 -5.5780 -5.5590 -5.5412 -5.5224 -5.4941 -5.4778 -5.4591 -5.4420 -5.4059 -5.3898 -5.3596 -5.3411 -5.3114 -5.2857 -5.2641 -5.2283 -5.1930 -5.1612 -5.1324 -5.0960 -5.0851 -5.0310 -4.9937 -4.9643 -4.9325 -4.9138 -4.8912 -4.8764 -4.8368 -4.7876 -4.7481 -4.7192 -4.6920 -4.6619 -4.6033 -4.5583 -4.5289 -4.4988 -4.4825 -4.4623 -4.4408 -4.3869 -4.3591 -4.3130 -4.2781 -4.2556 -4.2045 -4.1932 -4.1539 -4.1250 -4.0660 -4.0230 -3.9903 -3.9624 -3.9456 -3.9175 -3.8753 -3.8604 -3.8182 -3.7740 -3.7587 -3.7247 -3.7052 -3.6840 -3.6544 -3.6028 -3.5743 -3.5553 -3.5139 -3.4954 -3.4702 -3.4337 -3.4038 -3.3922 -3.3662 -3.3420 -3.3232 -3.3061 -3.2662 -3.2290 -3.2141 -3.1974 -3.1452 -3.1251 -3.0958 -3.0883 -3.0516 -3.0254 -2.9821 -2.9559 -2.9095 -2.8921 -2.8843 -2.8262 -2.7939 -2.7661 -2.7230 -2.6902 -2.6538 -2.6085 -2.5822 -2.5541 -2.5195 -2.4785 -2.4512 -2.4187 -2.4001 -2.3502 -2.3000 -2.2712 -2.2623 -2.2329 -2.1901 -2.1563 -2.1026 -2.0591 -2.0232 -1.9801 -1.9463 -1.9034 -1.8511 -1.7860 -1.7537 -1.7165 -1.6783 -1.6722 -1.6514 -1.6171 -1.5893 -1.5399 -1.5237 -1.4722 -1.4485 -1.4052 -1.3532 -1.3438 -1.3160 -1.3018 -1.2919 -1.2474 -1.2301 -1.1968 -1.1858 -1.1662 -1.1384 -1.1183 -1.0918 -1.0572 -1.0390 -1.0207 -0.9972 -0.9792 -0.9675 -0.9480 -0.9391 -0.9208 -0.9055 -0.8882 -0.8660 -0.8361 -0.8294 -0.7954 -0.7656 -0.7432 -0.6908 -0.6775 -0.6511 -0.6090 -0.5657 -0.5067 -0.4744 -0.4413 -0.4192 -0.3946 -0.3581 -0.3229 -0.3023 -0.2917 -0.2702 -0.2483 -0.2430 -0.2065 -0.1867 -0.1665 -0.1508 -0.1407 -0.1130 -0.0950 -0.0829 -0.0732 -0.0677 -0.0404 -0.0195 0.0012 0.0115 0.0451 0.0559 0.0747 0.0792 0.1046 0.1391 0.1699 0.1856 0.2062 0.2268 0.2676 0.2981 0.3732 0.5731 0.7327 0.8057 0.9748 1.0074 1.1647 1.1968 1.2641 1.3033 1.4089 1.4298 1.5315 1.5979 1.6548 1.6766 1.6959 1.7167 1.7343 1.8494 1.8667 2.0321 2.3392 2.8631 3.7096 3.8316 4.0290 4.2100 4.3631 4.6624 4.7757 4.8471 4.8898 5.0531 5.1106 5.1528 5.4277 5.5661 5.7412 5.7692 5.8644 5.8727 5.9315 5.9599 6.0433 6.0864 6.1413 6.1764 6.2037 6.2730 6.3306 6.5463 6.5945 6.6627 6.7436 6.8196 6.8357 6.9080 6.9223 7.0339 7.1190 7.1758 7.2292 7.2790 7.3730 7.4762 7.5338 7.5551 7.6454 7.7390 7.8735 7.9357 8.0170 8.0604 8.1621 8.2100 8.2848 8.3680 8.4607 8.4913 8.5741 8.5859 8.6888 8.7505 8.8058 8.8580 8.8816 8.9646 9.0526 9.1007 9.1348 9.1595 9.1863 9.3044 9.3265 9.3874</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="768">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.07110 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.01347 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
               </module>
               <module cmlx:templateRef="forces" id="forces">
                  <matrix cols="240"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="22"
                          units="nonsi2:ev.angstrom-1">0.081961 -0.002605 0.107126 -0.131717 0.103797 -0.287632 0.030935 -0.113149 -0.343701 0.001635 0.053891 0.132925 -0.027428 -0.042964 0.032071 0.090178 -0.037308 0.257478 -0.019430 -0.006848 -0.269738 0.096448 0.112078 -0.265857 0.080882 0.005674 0.201459 -0.007844 0.049931 0.160285 0.211136 0.023930 -0.153379 -0.064446 -0.015348 -0.074121 0.076182 -0.127020 0.150118 -0.135295 0.107123 0.347689 -0.027197 -0.062825 0.293946 0.048232 -0.136737 -0.420036 -0.047938 -0.165564 -0.462656 0.073182 0.012152 -0.086095 -0.090660 0.139663 -0.356143 0.192276 -0.032425 -0.090286 -0.007030 0.022909 -0.018417 0.105284 -0.012702 -0.100869 0.056871 -0.103012 0.040291 -0.091179 0.098216 0.074428 -0.026307 -0.065637 -0.886561 -0.002171 0.045253 -0.502398 -0.031178 -0.062507 -0.514195 0.079511 -0.057051 -0.072424 -0.051738 0.070286 -0.066152 -0.121701 -0.090471 -0.154833 0.017921 0.065814 0.213718 -0.082904 0.100451 0.151630 -0.090763 -0.107818 -0.227546 -0.121667 -0.044290 -0.130296 -0.023050 -0.017977 0.108620 0.136206 -0.089542 -0.309364 0.043381 0.147195 0.040426 -0.012374 -0.077333 0.165682 -0.146290 0.088940 -0.305113 0.022503 0.076854 -0.027068 0.426456 0.268640 0.231146 0.051788 -0.017426 -0.833689 0.435071 0.470454 -0.470181 -0.337609 -0.445781 0.502584 -0.025676 0.547911 -0.207314 -0.076142 0.574165 0.214213 0.033072 -0.076906 0.284321 -0.503066 0.051704 0.354607 -0.556427 0.576506 -0.257062 -0.026265 -0.230547 0.442145 -0.438310 -0.593339 0.838228 -0.060538 -0.283622 -0.360591 -0.429136 -0.322839 -0.299061 0.296438 -0.079841 0.134076 -0.059332 -0.085328 0.083969 0.055376 -0.045240 -0.443818 -0.034577 -0.109963 0.556813 0.511237 -0.053611 -0.196232 0.554725 0.252594 -0.037678 0.029477 0.012681 0.658633 -0.362007 -0.294369 0.715887 0.511403 0.051573 0.207687 -0.290682 -0.466776 1.375516 -0.434884 0.439795 -0.584327 -0.106188 -0.534527 0.073310 0.062199 -0.545170 0.040538 -0.217957 0.058790 0.122271 0.171700 0.140458 -0.388183 0.027129 -0.620521 0.485245 0.025828 0.175776 -0.070453 0.386186 0.578965 -0.184238 -0.504042 0.309218 0.369615 0.399805 0.376542 0.053064 0.455330 0.084776 -0.079715 0.043587 0.093413 -0.273917 0.027510 0.027998 -0.003812 0.157134 0.167085 0.442558 -0.217664 -0.119717 -0.082544 -0.032489 -0.183702 -0.262374 -0.032878 -0.002845 0.495747 0.029493 0.008198 0.120464 -0.070103 0.107962 -0.315972 0.038750 -0.018705 -0.119944 -0.031696 -0.080130 0.130289 0.030163 -0.032553 -0.020217 0.014776 0.079218 0.007709 -0.029184 -0.011800 -0.144982 0.058445 0.173701 -0.323879 0.086050 0.014593 0.214837 -0.017580 0.046201 0.113525 0.199924 -0.012745 -0.107612 0.029766 -0.015927 -0.074601 0.080873 -0.139103 0.157157 -0.141930 0.115543 0.319131 -0.026422 -0.059495 0.288198 0.017789 -0.065742 -0.147462 -0.016597 -0.091938 -0.106681 0.080162 0.019064 -0.086473 -0.041132 0.067609 -0.141510 0.082257 -0.026848 -0.061240 -0.009579 0.008120 0.072222 0.058719 -0.016928 -0.026814 -0.005628 -0.060081 0.027901 -0.036861 0.063640 0.104694 -0.033857 -0.076232 -0.871447 0.006255 0.037680 -0.534581 -0.040874 -0.053646 -0.536793 0.000148 0.033403 -0.029306 -0.012689 0.039340 -0.095339 -0.103863 -0.096620 -0.154079 0.004722 0.048535 0.164857 -0.032998 0.054316 0.127431 -0.103224 -0.130962 -0.193523 -0.051649 -0.024103 -0.021250 -0.027340 -0.014828 0.081909 0.088616 -0.073715 -0.266451 0.005318 0.069402 -0.048221 -0.007151 -0.050546 0.081792 -0.129178 0.078049 -0.284303 0.022199 0.011433 0.059587 0.437301 0.249320 0.276922 0.066337 -0.035592 -0.429863 0.404781 0.425581 -0.216069 -0.171487 -0.356596 -0.035887 -0.009141 0.558361 -0.207277 -0.100678 0.455045 0.131940 0.003088 -0.030263 0.156414 -0.498304 0.042231 0.348050 -0.433477 0.165054 -0.192549 -0.031665 -0.044937 0.233041 -0.439098 -0.592241 0.877576 -0.069007 -0.226139 -0.241759 -0.411773 -0.318887 -0.300210 0.152419 -0.136097 0.069142 -0.071910 -0.096783 0.101377 0.118280 -0.034723 -0.257978 -0.002488 -0.047102 0.286200 0.514799 -0.050786 -0.197703 0.474432 0.147052 -0.018151 0.026375 0.014058 0.393968 -0.319113 -0.282040 0.745966 0.266392 0.051807 0.105146 -0.269215 -0.442068 1.316182 -0.202696 0.333225 -0.196590 -0.048277 -0.546574 0.074404 -0.008631 -0.415202 -0.045429 -0.067415 -0.002570 0.016410 0.184928 0.148849 -0.402276 -0.022276 -0.206349 0.272310 -0.006084 0.033343 -0.061612 0.344816 0.584173 -0.229677 -0.277548 0.254303 0.182096 0.380555 0.378007 0.015218 0.250732 0.152872 -0.036245 -0.006320 0.109547 -0.278772 0.061724 0.013476 0.029952 0.028392 0.061215 0.225884 -0.222369 -0.123347 -0.082583 0.012389 -0.103895 -0.070464 -0.003664 -0.008689 0.283873 0.019544 0.011663 0.123805 -0.061049 0.107793 -0.340210 0.049179 0.023969 -0.011337 -0.052399 -0.124701 0.105211 0.059038 -0.028054 -0.044539 -0.008704 0.145287 -0.137062 -0.040302 -0.017958 -0.071132 0.044718 0.186325 -0.327673 0.090353 0.017638 0.216703 -0.017253 0.046643 0.096989 0.198817 -0.023057 -0.093236 0.079017 -0.010885 -0.072140 0.086533 -0.143479 0.155149 -0.148850 0.119379 0.315305 -0.026199 -0.060018 0.281386 0.002459 -0.030961 -0.007472 -0.001786 -0.053376 0.066090 0.087431 0.021379 -0.093756 -0.015389 0.029821 -0.039490 0.030589 -0.019285 -0.058794 -0.008390 0.001796 0.093875 0.051803 -0.025946 0.006615 -0.035724 -0.042685 0.022604 -0.012995 0.048126 0.118704 -0.038614 -0.077433 -0.872611 0.006123 0.038568 -0.553757 -0.042039 -0.053421 -0.551927 -0.036167 0.066517 -0.016148 -0.005851 0.027941 -0.111747 -0.099724 -0.098511 -0.161197 -0.000802 0.037295 0.136765 -0.028415 0.030129 0.125021 -0.113751 -0.129318 -0.168634 -0.036277 -0.015792 0.029985 -0.030164 -0.015402 0.088423 0.082014 -0.072246 -0.257074 -0.012583 0.038024 -0.083074 -0.002648 -0.038229 0.046748 -0.123741 0.074446 -0.282064 0.022282 -0.019722 0.101017 0.440151 0.239744 0.320223 0.077704 -0.043805 -0.240035 0.394579 0.410212 -0.209893 -0.098257 -0.323370 -0.196012 -0.009344 0.565742 -0.203304 -0.047203 0.423504 0.091366 -0.017685 -0.006312 0.089116 -0.503010 0.041700 0.355198 -0.392874 0.056678 -0.155098 -0.034779 0.038798 0.137574 -0.438143 -0.593796 0.897636 -0.073440 -0.202578 -0.188009 -0.403775 -0.315881 -0.286830 0.084271 -0.165053 0.020582 -0.073507 -0.087406 0.116346 0.082773 -0.016815 -0.173448 0.017030 -0.016412 0.162049 0.523276 -0.050918 -0.192648 0.457871 0.092222 -0.012136 0.022841 0.014968 0.276863 -0.303182 -0.276501 0.758886 0.159090 0.049961 0.055670 -0.251749 -0.425415 1.290153 -0.096615 0.288491 -0.009104 -0.045892 -0.554001 0.078799 -0.048795 -0.377650 -0.088076 0.003057 -0.032386 -0.037804 0.180723 0.148334 -0.400347 -0.048947 -0.108434 0.181289 -0.020902 -0.042696 -0.061262 0.329800 0.587299 -0.248123 -0.171241 0.232262 0.081695 0.366973 0.377548 0.004838 0.157672 0.187909 -0.013230 -0.008001 0.100259 -0.274445 0.084848 -0.008675 0.044155 -0.029099 0.012422 0.124677 -0.217307 -0.123325 -0.079483 0.034097 -0.058100 0.019092 0.006907 -0.010787 0.187760 -0.007357 0.023575 0.131075 -0.040429 0.104750 -0.398106 0.065615 0.115646 0.234859 -0.098253 -0.232097 0.059189 0.118685 -0.012511 -0.093501 -0.069139 0.290706 -0.532840 -0.066368 -0.025720 0.060917 0.004999 0.212926 -0.334596 0.098951 0.023228 0.221775 -0.015409 0.046357 0.026901 0.196531 -0.059191 -0.062375 0.185797 -0.012776 -0.069298 0.100408 -0.155520 0.152497 -0.165021 0.130401 0.305059 -0.024461 -0.061042 0.269077 -0.025960 0.040473 0.293892 0.028609 0.035822 0.470012 0.097717 0.026111 -0.109564 0.036631 -0.042573 0.172343 -0.071091 -0.009672 -0.059181 -0.009721 -0.006615 0.126323 0.035891 -0.045743 0.065385 -0.093300 -0.010873 0.012184 0.036432 0.017770 0.139445 -0.046305 -0.080700 -0.874057 0.006148 0.040482 -0.582559 -0.044747 -0.052924 -0.573356 -0.107293 0.132057 0.007577 0.004930 0.006587 -0.146104 -0.091500 -0.100510 -0.177373 -0.012798 0.016506 0.078277 -0.020871 -0.018010 0.125677 -0.130199 -0.129721 -0.128175 -0.005399 0.000146 0.121799 -0.032698 -0.015516 0.118847 0.066768 -0.060051 -0.237187 -0.045286 -0.029234 -0.140520 0.003883 -0.013864 -0.026419 -0.104972 0.066543 -0.274948 0.022507 -0.077288 0.191172 0.445693 0.219499 0.397324 0.105589 -0.057418 0.204677 0.371084 0.380440 -0.175043 0.056296 -0.250633 -0.564009 -0.007805 0.574166 -0.200654 0.069774 0.316084 0.018745 -0.054907 0.035091 -0.034703 -0.505778 0.043507 0.361931 -0.288117 -0.190616 -0.079083 -0.036522 0.198597 -0.036918 -0.434323 -0.597420 0.938040 -0.081519 -0.157322 -0.089087 -0.384671 -0.308804 -0.261534 -0.040588 -0.207318 -0.082769 -0.074477 -0.071019 0.149624 0.014775 0.013309 -0.037920 0.053106 0.041151 -0.079630 0.533836 -0.050398 -0.187261 0.392869 -0.016400 0.020919 0.015499 0.015371 0.035971 -0.272880 -0.266320 0.785588 -0.066852 0.049007 -0.046698 -0.215194 -0.388333 1.240630 0.113331 0.206654 0.364713 -0.038854 -0.563175 0.083146 -0.133765 -0.271821 -0.170133 0.142527 -0.084846 -0.141502 0.172575 0.141961 -0.394980 -0.098450 0.134545 0.010171 -0.054259 -0.203869 -0.049587 0.300725 0.595688 -0.282710 0.032725 0.187154 -0.142903 0.339676 0.374499 -0.015748 -0.026020 0.247228 0.021925 -0.015925 0.083431 -0.264206 0.133441 -0.051226 0.075071 -0.145316 -0.085335 -0.052064 -0.207031 -0.122366 -0.072312 0.075963 0.023886 0.191881 0.031846 -0.014561 -0.003022 -0.001911 0.017613 0.127871 -0.043399 0.106877 -0.382428 0.063546 0.090870 0.171351 -0.088433 -0.206861 0.072173 0.105040 -0.015552 -0.082553 -0.056711 0.256303 -0.497099 -0.060156 -0.024505 0.032178 0.014509 0.207872 -0.346425 0.100997 0.026286 0.219774 -0.012979 0.045985 -0.029696 0.195483 -0.057343 -0.071996 0.161984 -0.018537 -0.071044 0.106573 -0.162242 0.151322 -0.170940 0.136062 0.302628 -0.022725 -0.059122 0.270732 -0.017155 0.021167 0.218736 0.019679 0.015738 0.365720 0.098652 0.024827 -0.105564 0.025225 -0.022919 0.120317 -0.049421 -0.015941 -0.056580 -0.012614 -0.005150 0.119820 0.036986 -0.043475 0.051935 -0.079892 -0.020171 0.016684 0.028663 0.026927 0.134682 -0.051349 -0.084289 -0.875241 0.006754 0.037305 -0.580163 -0.046025 -0.052516 -0.571074 -0.092168 0.117612 0.006689 0.005666 0.015267 -0.137747 -0.092457 -0.100399 -0.170319 -0.007195 0.020902 0.092636 -0.020925 -0.005394 0.127629 -0.129390 -0.130977 -0.138097 -0.011598 -0.006375 0.100144 -0.030063 -0.014956 0.102163 0.067884 -0.061733 -0.249509 -0.039556 -0.013817 -0.126259 0.004160 -0.021452 -0.007432 -0.106964 0.068515 -0.284975 0.020475 -0.062948 0.168795 0.442773 0.222243 0.468094 0.099825 -0.049358 0.120776 0.379868 0.389525 -0.169193 0.019565 -0.263494 -0.481156 -0.007295 0.587404 -0.195365 0.047220 0.368830 0.038347 -0.044198 0.025843 -0.003324 -0.521014 0.051416 0.369151 -0.337473 -0.132578 -0.095268 -0.032312 0.160447 0.004410 -0.435843 -0.596883 0.927255 -0.078638 -0.168819 -0.110860 -0.391326 -0.310805 -0.264156 -0.009371 -0.187598 -0.057767 -0.075749 -0.064950 0.143419 0.020268 0.014574 -0.072515 0.043277 0.024951 -0.016461 0.546212 -0.049018 -0.181572 0.431066 0.011564 0.024974 0.010235 0.014185 0.083186 -0.279306 -0.268600 0.777587 -0.010843 0.049081 -0.017583 -0.223231 -0.400481 1.255206 0.059948 0.226542 0.273478 -0.031068 -0.576338 0.086444 -0.113838 -0.319500 -0.148749 0.108488 -0.072070 -0.116919 0.167251 0.137281 -0.392220 -0.093066 0.084856 0.052760 -0.045818 -0.163839 -0.057190 0.308182 0.592356 -0.272792 -0.017558 0.196545 -0.088557 0.345049 0.375995 -0.008410 0.021467 0.222885 0.013891 -0.021969 0.078541 -0.264241 0.120163 -0.048924 0.066689 -0.118326 -0.059558 -0.007510 -0.200560 -0.123720 -0.070967 0.072351 0.005598 0.151953 0.027341 -0.013587 0.045382 0.048479 0.052812 -0.068427 -0.077168 0.070982 -0.339247 0.033208 0.036109 0.120556 -0.025533 0.021594 -0.018703 0.052225 -0.007134 -0.013638 -0.032765 -0.027069 -0.142410 -0.048937 -0.031668 0.055408 0.024582 0.128465 -0.336020 0.105372 0.022681 0.194170 -0.046204 0.015035 0.048340 0.183751 -0.043436 -0.115457 0.008512 -0.039620 -0.026326 0.116644 -0.177694 0.142300 -0.187175 0.143437 0.377010 -0.008604 -0.040437 0.236838 -0.002748 0.050503 0.145655 -0.000518 0.014884 0.083080 0.080811 0.065764 -0.060565 0.032638 -0.057125 0.078785 -0.027264 -0.009454 -0.030963 0.047001 -0.002059 0.097148 0.013745 0.074846 0.030653 -0.013124 -0.024779 0.037424 0.022765 0.004892 0.060651 -0.046380 -0.095981 -0.887247 0.016986 0.018847 -0.599167 -0.071186 -0.022743 -0.532860 -0.073981 -0.012163 -0.043507 0.011716 -0.094585 -0.093533 -0.076416 -0.073990 -0.159587 0.016800 0.030358 0.006834 -0.056889 -0.006596 0.007707 -0.116609 -0.049377 -0.088866 -0.012261 0.080935 0.094319 -0.017110 0.007650 0.072342 0.085363 -0.087603 -0.172652 -0.027644 -0.047978 -0.039090 -0.011868 0.008575 -0.023423 -0.126096 0.007269 -0.290391 0.002660 -0.023081 0.125722 0.458948 0.261156 0.397376 0.140830 -0.011753 -0.004190 0.366978 0.369309 -0.528555 0.038493 -0.249703 0.177396 0.049253 0.596089 -0.199758 -0.293124 0.408680 -0.008127 -0.017365 0.028228 0.021472 -0.517175 0.117840 0.382752 -0.323352 0.055811 -0.054170 0.004995 0.076026 -0.038847 -0.449000 -0.580410 0.986364 -0.140364 -0.086563 -0.129828 -0.383711 -0.297027 -0.216129 -0.041616 -0.209084 0.105337 -0.113239 0.096739 0.192022 0.338325 0.135333 -0.059320 0.020257 0.046104 0.005601 0.561399 0.016652 -0.176237 0.399047 0.041536 -0.061757 -0.019019 0.003560 0.125618 -0.258448 -0.289244 0.815984 -0.057486 0.008170 -0.093287 -0.209551 -0.382179 1.245939 0.123037 0.142464 0.155273 0.017101 -0.577025 0.081000 -0.018529 -0.212039 -0.126435 0.051892 -0.059592 -0.102468 0.000082 0.066109 -0.377672 -0.216521 -0.100688 -0.010015 -0.035201 -0.079046 -0.015039 0.288819 0.577038 -0.220684 0.008585 0.091304 -0.091500 0.333707 0.375165 -0.033122 -0.028049 0.220274 0.056047 -0.073313 -0.070020 -0.248931 0.049651 -0.130007 0.093924 -0.046509 -0.059291 -0.071183 -0.025806 -0.190672 -0.044094 0.200022 -0.021832 0.092835 0.019181 -0.008481 0.043545 -0.000649 0.111106 -0.163977 -0.001528 0.081781 -0.438802 0.026568 -0.049691 0.083328 0.055467 0.238894 -0.051443 0.013920 0.031267 0.056688 0.030540 -0.354120 0.101147 -0.049266 -0.064444 0.108770 -0.022192 0.190814 -0.396560 0.133223 0.058924 0.225885 -0.029628 0.033971 -0.032377 0.184819 -0.048993 -0.188098 -0.117020 -0.146575 0.022284 0.135982 -0.204231 0.137185 -0.208502 0.168542 0.286236 -0.020710 -0.064506 0.245942 0.034851 0.033546 0.149040 -0.046543 0.047284 -0.066773 0.125929 0.056934 -0.031316 0.063069 -0.046538 0.098466 -0.025632 -0.057748 0.038881 -0.026936 0.051896 0.001320 -0.069615 0.098535 0.027498 0.071058 -0.041792 0.059493 0.131606 0.007255 -0.060719 -0.078364 -0.129826 -0.892681 -0.001045 0.038496 -0.623749 -0.062707 -0.047038 -0.580889 -0.110251 -0.072537 -0.063052 0.035037 -0.096261 0.006797 -0.061316 -0.089678 -0.174227 0.092908 0.054702 -0.015960 -0.009455 0.022199 0.009390 -0.154510 -0.109246 -0.108118 0.037368 0.023060 0.112379 0.018024 0.057708 -0.062224 0.035381 -0.063675 -0.160057 -0.040029 -0.132949 0.098936 -0.013213 0.022693 -0.002863 -0.106871 0.023495 -0.299049 -0.035255 0.041016 0.079704 0.440263 0.254463 0.098631 0.133719 0.060337 0.563038 0.366216 0.339889 0.013472 0.070604 -0.196425 0.086068 0.000852 0.686110 -0.198551 0.046531 0.328317 -0.133769 0.066748 0.019878 0.037551 -0.602452 0.066353 0.372747 -0.239071 0.047172 -0.023840 0.112009 -0.075822 -0.061602 -0.416952 -0.582031 0.967053 -0.132394 -0.009298 -0.009111 -0.391318 -0.325340 -0.224117 -0.093319 -0.050171 0.162844 -0.086971 -0.020982 0.200393 -0.027330 0.172301 -0.024869 -0.063411 0.057508 0.015174 0.644868 -0.047389 -0.177862 0.202522 -0.049262 0.016497 -0.118823 -0.019932 -0.045965 -0.247297 -0.271737 0.864515 -0.132431 -0.057934 -0.110698 -0.184777 -0.336233 1.245474 0.216993 -0.015539 -0.023722 -0.004034 -0.666490 0.081831 0.115182 0.127365 -0.100491 0.005866 -0.004198 -0.065706 0.122588 0.137527 -0.363131 -0.180598 -0.053679 -0.130824 -0.003381 0.077452 0.029358 0.284540 0.581329 -0.180481 0.069883 -0.024513 -0.073090 0.302745 0.397971 -0.056189 -0.155881 0.010888 0.060810 -0.034063 0.048881 -0.257244 -0.059864 -0.139187 0.095030 0.025300 -0.049846 -0.166478 -0.146696 -0.138584 -0.037974 0.181596 0.041124 -0.008333 -0.022477 0.005451 0.027128 -0.021204 0.001594 -0.064675 0.003214 0.063292 -0.475034 -0.034282 -0.041145 -0.017271 0.025699 0.020894 -0.058798 0.013871 -0.001583 0.051485 0.075887 0.192046 0.286961 0.011183 0.006836 0.019951 -0.041899 0.199003 -0.413999 0.135526 0.059106 0.225419 -0.026739 0.037132 -0.000348 0.197369 -0.043908 -0.209180 -0.046553 -0.031488 -0.026909 0.130801 -0.204305 0.135987 -0.208564 0.170287 0.287160 -0.021385 -0.071689 0.238299 0.021105 0.025502 0.073959 -0.032493 0.015879 -0.102655 0.122113 0.060180 -0.022981 0.012086 -0.032756 0.051560 -0.018244 -0.007643 0.048290 0.046822 0.023566 -0.046491 -0.050849 0.057178 0.000173 0.066479 -0.054234 0.055079 0.014129 -0.031804 -0.049799 -0.073047 -0.134012 -0.887848 -0.003120 0.046634 -0.630948 -0.063194 -0.046501 -0.572397 0.054567 -0.075051 -0.045272 0.018563 -0.072585 0.069675 -0.063235 -0.086191 -0.157395 0.012687 0.018479 -0.002403 0.042295 0.041435 0.020091 -0.145641 -0.115654 -0.091014 0.003029 0.011012 0.043211 0.012182 -0.002080 -0.044952 0.040199 -0.090530 -0.201679 0.000539 -0.067269 0.058319 -0.004511 0.054463 0.040373 -0.116004 0.028303 -0.302722 -0.028460 0.018411 0.014396 0.423903 0.228194 -0.059019 0.077698 0.056188 0.341969 0.348658 0.330919 0.058022 0.009078 -0.046751 0.141338 0.001050 0.693776 -0.198268 0.010250 -0.053408 -0.091655 0.037617 -0.005093 0.017755 -0.599053 0.065937 0.360138 0.014868 -0.009811 0.016337 0.088049 -0.085286 -0.033816 -0.396710 -0.562115 0.996033 -0.140122 0.028991 -0.041241 -0.373470 -0.319447 -0.202705 -0.048626 0.048859 0.100385 -0.086849 -0.026974 0.219971 0.004520 0.111250 -0.000750 -0.050627 0.009259 0.040074 0.649980 -0.048875 -0.177670 -0.051273 -0.067530 0.038871 -0.069805 -0.000206 -0.047620 -0.254786 -0.242323 0.897039 -0.093936 -0.037131 -0.069654 -0.167800 -0.329655 1.219543 0.116037 0.010682 -0.039633 -0.004648 -0.674103 0.081562 0.063675 0.065506 0.061312 -0.037502 0.023533 0.005225 0.125816 0.139314 -0.361875 -0.102416 -0.024185 -0.138243 0.002550 0.066965 0.037643 0.295599 0.567967 -0.068935 0.071505 -0.049219 -0.038334 0.299691 0.392147 -0.042054 -0.139285 -0.091534 0.052799 -0.034155 0.056126 -0.277653 -0.054705 -0.092641 0.064869 0.056116 0.006836 -0.126173 -0.148524 -0.137417 -0.034242 0.112769 0.073541 -0.072700 -0.016057 -0.013091 0.075736 -0.022971 -0.015719 -0.048979 0.004128 0.060208 -0.482182 -0.044712 -0.042731 -0.034427 0.025160 -0.027202 -0.060682 0.011009 -0.007253 0.050606 0.084359 0.310027 0.312097 0.023618 0.017279 0.006139 -0.044996 0.200215 -0.417467 0.135938 0.058973 0.224965 -0.026146 0.037622 0.004752 0.199581 -0.042834 -0.213486 -0.034825 -0.010773 -0.035977 0.129760 -0.204336 0.135391 -0.208522 0.170559 0.286823 -0.021546 -0.073068 0.236661 0.018037 0.023096 0.059626 -0.030043 0.011546 -0.108048 0.121518 0.060643 -0.021874 0.002224 -0.030743 0.042585 -0.016537 0.001646 0.049790 0.059300 0.018451 -0.055265 -0.047844 0.048908 -0.004931 0.065474 -0.056555 0.053621 -0.005306 -0.037951 -0.048226 -0.072106 -0.134791 -0.887397 -0.003592 0.048010 -0.632632 -0.063253 -0.046346 -0.571153 0.084601 -0.074814 -0.042327 0.015695 -0.067834 0.080912 -0.063553 -0.085769 -0.154940 -0.000657 0.011460 0.000613 0.051058 0.044898 0.021542 -0.144200 -0.116894 -0.088447 -0.000977 0.009601 0.030693 0.011245 -0.012465 -0.040748 0.040979 -0.095803 -0.209508 0.007885 -0.054060 0.051292 -0.003253 0.059775 0.047835 -0.117913 0.029139 -0.303437 -0.028425 0.013673 0.005833 0.420459 0.223121 -0.088503 0.069616 0.055224 0.310718 0.345315 0.329059 0.066519 -0.003396 -0.016558 0.150133 0.001095 0.694961 -0.198352 0.003568 -0.139743 -0.079625 0.032692 -0.009346 0.015299 -0.598668 0.065660 0.357295 0.071718 -0.020255 0.025578 0.084373 -0.086913 -0.028663 -0.392976 -0.558820 1.000943 -0.139139 0.037574 -0.045823 -0.370288 -0.318532 -0.198899 -0.038471 0.064777 0.087893 -0.086899 -0.028769 0.223233 0.009306 0.098083 0.004843 -0.047884 0.000778 0.043664 0.650968 -0.049396 -0.177856 -0.114725 -0.073052 0.043601 -0.061663 0.004750 -0.044658 -0.256372 -0.236577 0.902074 -0.088108 -0.032793 -0.063858 -0.164653 -0.328280 1.214535 0.100440 0.016210 -0.041683 -0.004935 -0.675439 0.081118 0.052331 0.058798 0.093368 -0.044179 0.029169 0.018509 0.126601 0.139699 -0.361959 -0.091910 -0.016659 -0.140603 0.004463 0.065657 0.039166 0.297574 0.565749 -0.049543 0.069232 -0.053864 -0.033755 0.298864 0.391223 -0.039594 -0.135501 -0.109504 0.053214 -0.033959 0.058012 -0.281925 -0.051934 -0.086794 0.059154 0.060514 0.017198 -0.119185 -0.149153 -0.137046 -0.033683 0.100542 0.081862 -0.084537 -0.015046 -0.017008 0.082202 0.005180 -0.041567 -0.006951 0.005834 0.064027 -0.501951 -0.033744 0.012121 -0.036323 -0.015537 -0.049699 -0.008502 -0.048949 0.000534 0.016723 -0.080954 -0.194770 0.024504 0.024312 0.021280 -0.020656 -0.068039 0.202071 -0.409616 0.133685 0.058379 0.229710 -0.029504 0.035855 0.045149 0.207772 -0.050671 -0.219169 0.003976 0.064254 0.050594 0.125624 -0.203021 0.135165 -0.205362 0.169401 0.291809 -0.021467 -0.074330 0.233621 -0.012237 0.001931 0.056319 0.003180 -0.012030 -0.035428 0.120624 0.066089 -0.041864 0.003323 -0.006747 0.033765 0.044767 0.014125 0.002814 0.032228 0.003312 -0.012819 -0.012284 0.043179 -0.026001 0.032477 -0.034127 0.018442 -0.049493 -0.037826 0.002404 -0.069470 -0.134209 -0.881712 -0.004156 0.051442 -0.626748 -0.062269 -0.046142 -0.559464 0.074168 -0.051168 0.003982 0.004209 -0.006891 0.013651 -0.071051 -0.094914 -0.130370 0.024021 0.008592 -0.007498 0.027896 -0.006199 0.053624 -0.143247 -0.122944 -0.093541 -0.009490 -0.017711 -0.011124 0.009996 -0.019814 0.001912 0.040298 -0.062649 -0.193926 -0.004594 -0.005883 -0.012577 0.000689 0.003676 0.055948 -0.093719 0.025372 -0.284578 -0.010141 -0.030279 0.008701 0.423246 0.267074 -0.077348 0.078537 0.027435 0.126180 0.359243 0.334070 0.034755 -0.010418 0.004404 0.024236 0.002497 0.694914 -0.201488 0.012958 0.031186 0.042284 -0.026043 -0.007774 0.002466 -0.593726 0.068303 0.354767 0.107936 0.024797 0.054570 0.045425 0.006413 -0.002704 -0.385670 -0.544863 1.014514 -0.109221 -0.004347 -0.019081 -0.383580 -0.310930 -0.212749 -0.013183 0.081591 0.034292 -0.087336 -0.034273 0.220625 0.015405 0.011280 0.023486 0.006383 -0.031154 0.011971 0.649565 -0.047511 -0.182317 -0.033536 0.027724 0.088483 -0.033615 0.001096 -0.034837 -0.266131 -0.244821 0.887710 -0.049221 -0.029994 -0.020119 -0.178548 -0.343083 1.217343 0.015015 0.012086 0.015242 -0.004619 -0.671832 0.076143 -0.005128 0.126256 0.120383 0.005288 0.028360 0.025217 0.127115 0.137267 -0.362849 -0.022579 0.029674 -0.063231 0.005078 -0.038399 0.002051 0.307883 0.553693 0.011730 0.056767 0.011215 -0.049806 0.317878 0.385528 0.002272 -0.048654 -0.056457 0.000015 -0.035075 0.063232 -0.295621 0.008119 -0.013664 0.029381 0.002058 0.022712 -0.058231 -0.150513 -0.137905 -0.034216 0.017420 0.035542 -0.013577 -0.005570 -0.010891 0.050038 0.008221 -0.045383 0.005180 0.006899 0.064991 -0.508031 -0.032496 0.024127 -0.037054 -0.023316 -0.056209 0.005554 -0.061587 0.003444 0.008923 -0.118079 -0.309672 -0.036374 0.024838 0.023038 -0.026960 -0.073670 0.202128 -0.408096 0.133062 0.058158 0.230713 -0.030324 0.035277 0.054793 0.209949 -0.052556 -0.220948 0.011898 0.081945 0.071629 0.124974 -0.202510 0.134870 -0.204785 0.168876 0.293485 -0.021325 -0.074649 0.232694 -0.019511 -0.002168 0.053329 0.008438 -0.017330 -0.019869 0.120569 0.067203 -0.047291 0.003053 -0.002882 0.028963 0.059462 0.018236 -0.009228 0.024741 0.003978 -0.004506 -0.003052 0.041222 -0.031958 0.024221 -0.029183 0.008750 -0.060417 -0.038268 0.015106 -0.068535 -0.134085 -0.880783 -0.004085 0.051994 -0.624667 -0.062136 -0.046017 -0.556722 0.070920 -0.046421 0.016259 0.001874 0.008843 -0.002403 -0.072692 -0.097535 -0.125265 0.029929 0.008247 -0.009629 0.021799 -0.018057 0.062623 -0.142882 -0.124249 -0.095164 -0.012399 -0.025392 -0.020460 0.008886 -0.022206 0.013229 0.040150 -0.054715 -0.191950 -0.007954 0.005834 -0.027949 0.000921 -0.009836 0.058506 -0.087968 0.024288 -0.279897 -0.004545 -0.041200 0.008585 0.424470 0.275432 -0.074475 0.082297 0.019823 0.091508 0.361658 0.335504 0.024826 -0.012590 0.005948 0.004732 0.002413 0.695566 -0.201851 0.029159 0.066747 0.066749 -0.038267 -0.006260 -0.000467 -0.590689 0.068337 0.354789 0.120102 0.038709 0.058557 0.038250 0.024873 0.001583 -0.384185 -0.541597 1.016047 -0.103015 -0.012216 -0.011976 -0.386432 -0.308888 -0.215428 -0.008248 0.082239 0.021849 -0.086871 -0.033960 0.220326 0.004072 -0.002936 0.027473 0.015974 -0.037739 0.007950 0.647453 -0.047676 -0.183099 -0.016338 0.046903 0.093091 -0.029861 0.000653 -0.029089 -0.268318 -0.246182 0.884205 -0.043054 -0.031099 -0.010784 -0.180066 -0.346288 1.217231 -0.001802 0.013942 0.025944 -0.005114 -0.671889 0.075323 -0.013615 0.148604 0.128308 0.014548 0.028620 0.026087 0.128081 0.137321 -0.362976 -0.011412 0.034716 -0.048788 0.004852 -0.061072 -0.007090 0.309966 0.550848 0.023923 0.055799 0.024461 -0.054631 0.320427 0.384075 0.010913 -0.028732 -0.040282 -0.009327 -0.034887 0.062862 -0.297413 0.020250 -0.002824 0.024508 -0.008945 0.021956 -0.046727 -0.151369 -0.137846 -0.034255 0.003240 0.028413 -0.000511 -0.002247 -0.009105 0.044981 0.008835 -0.006087 0.047875 0.003975 0.068802 -0.492857 -0.004895 0.009219 -0.025619 -0.003779 0.015333 -0.007280 0.010761 0.025565 0.001585 0.122058 0.223579 -0.020834 -0.003204 0.012337 -0.003963 -0.073848 0.214577 -0.383347 0.132200 0.059074 0.228412 -0.029323 0.038905 0.067755 0.215159 -0.060847 -0.149875 0.015419 0.020112 0.031296 0.120509 -0.201960 0.134705 -0.202949 0.168600 0.294329 -0.021919 -0.077126 0.230091 -0.016337 -0.019952 0.035938 0.006168 -0.023743 0.019503 0.118975 0.064413 -0.054031 -0.005467 0.013453 0.015963 -0.008691 0.000415 -0.004143 0.037078 0.001185 0.020399 0.008308 -0.012915 -0.024468 -0.004558 -0.000661 -0.000378 -0.032210 -0.005870 0.048433 -0.065847 -0.132830 -0.878700 -0.004296 0.055604 -0.623545 -0.060616 -0.045836 -0.551138 -0.030194 -0.002308 0.019044 -0.011159 0.018070 -0.035951 -0.075544 -0.104011 -0.124157 -0.025604 -0.028778 -0.000787 -0.000600 -0.034499 0.022999 -0.143035 -0.127776 -0.109056 0.000381 -0.000993 -0.025420 0.009153 -0.008106 0.014272 0.048064 -0.058199 -0.214498 -0.000884 0.004663 -0.033246 -0.011700 -0.022460 0.032771 -0.088859 0.034228 -0.273852 0.001509 -0.022957 0.011431 0.405698 0.256110 -0.058770 0.085331 -0.027625 -0.041624 0.356742 0.342669 0.009990 -0.008977 -0.031381 -0.039113 0.001673 0.695301 -0.203406 -0.013758 -0.067443 0.075187 -0.026388 -0.005468 0.006675 -0.593522 0.066735 0.351828 -0.027199 -0.029966 0.031652 0.017988 0.023830 0.028450 -0.370392 -0.531232 1.018108 -0.050197 -0.048428 0.017741 -0.375145 -0.289198 -0.209321 0.021025 0.060205 -0.004424 -0.086566 -0.039390 0.219350 0.032555 -0.042026 0.010959 0.019478 -0.034879 0.006887 0.648010 -0.048665 -0.185857 -0.042691 0.001545 0.068013 -0.018929 -0.001793 -0.007908 -0.277595 -0.227642 0.862209 -0.016566 0.007836 0.023626 -0.187157 -0.356891 1.217453 0.000487 0.007200 0.032646 -0.006189 -0.672065 0.074706 -0.053261 -0.114994 0.031842 0.011223 0.008202 0.036685 0.127770 0.137304 -0.361879 0.035227 0.047825 0.024597 -0.002583 -0.052269 -0.033505 0.317072 0.540915 0.046417 0.015916 0.038267 -0.034588 0.330273 0.371347 0.029925 0.007643 -0.026319 0.007015 -0.035439 0.067441 -0.310365 0.026986 0.027318 0.008614 -0.016849 0.015713 -0.007049 -0.152431 -0.136044 -0.033052 -0.038420 0.011023 0.044768 0.006127 0.006706 0.005861 0.006104 -0.010416 0.044866 0.005919 0.068404 -0.496622 -0.010242 0.011011 -0.028122 -0.007569 0.006508 -0.005295 0.003589 0.021263 0.004373 0.093990 0.162057 -0.021049 0.001960 0.013597 -0.007479 -0.073815 0.214316 -0.386411 0.132305 0.059171 0.228770 -0.029670 0.038572 0.066757 0.214681 -0.060208 -0.157259 0.011738 0.026747 0.035777 0.121084 -0.201857 0.134990 -0.203163 0.168796 0.294109 -0.021669 -0.076657 0.230557 -0.016918 -0.015033 0.035472 0.007069 -0.023283 0.014855 0.119047 0.064700 -0.053481 -0.004535 0.008885 0.015084 -0.001782 0.002761 -0.003428 0.033247 0.005486 0.016487 0.006343 -0.008291 -0.025661 0.000067 -0.003305 0.000968 -0.036970 -0.009935 0.045598 -0.066005 -0.132785 -0.878792 -0.004025 0.055232 -0.623200 -0.060962 -0.045688 -0.551437 -0.017854 -0.005766 0.019572 -0.008292 0.018183 -0.031706 -0.075287 -0.103241 -0.124355 -0.019335 -0.023194 -0.000134 0.004714 -0.032510 0.028649 -0.142787 -0.128033 -0.107600 -0.000429 -0.004988 -0.024553 0.007946 -0.009816 0.013455 0.046222 -0.057553 -0.213814 -0.001381 0.005370 -0.032553 -0.010008 -0.021356 0.035729 -0.088597 0.033230 -0.272866 0.002508 -0.024660 0.010681 0.408524 0.258466 -0.060852 0.084630 -0.023680 -0.027401 0.356991 0.341770 0.013943 -0.008391 -0.025547 -0.036724 0.002136 0.695910 -0.203081 0.009488 -0.053638 0.074345 -0.027358 -0.004402 0.006027 -0.592793 0.067457 0.352254 -0.010680 -0.024256 0.034133 0.019102 0.024497 0.025923 -0.372449 -0.532544 1.016694 -0.055491 -0.043882 0.015590 -0.376596 -0.291495 -0.209614 0.017394 0.051492 -0.002227 -0.086593 -0.037751 0.220095 0.011990 -0.038365 0.013072 0.019468 -0.034366 0.006715 0.647776 -0.048234 -0.185629 -0.040067 0.006358 0.059700 -0.018908 -0.001241 0.000034 -0.275927 -0.229737 0.864772 -0.016957 0.004205 0.019939 -0.185362 -0.355010 1.216864 -0.001862 0.005889 0.031285 -0.005489 -0.672174 0.074755 -0.049912 -0.089231 0.040547 0.011426 0.009296 0.034848 0.127527 0.137475 -0.362038 0.030309 0.046479 0.016396 -0.001576 -0.052298 -0.027244 0.315936 0.542832 0.043250 0.019253 0.036361 -0.035883 0.328524 0.373381 0.027119 0.005322 -0.015827 0.004503 -0.035705 0.066392 -0.308193 0.025483 0.023146 0.008645 -0.015909 0.016431 -0.010577 -0.151663 -0.136391 -0.033080 -0.033317 0.011140 0.039588 0.004488 0.005375 0.010575 -0.007410 0.019551 0.020161 0.003097 0.068652 -0.483075 0.010213 -0.018473 -0.010675 0.012389 0.021817 -0.015310 0.015483 0.012489 0.007087 -0.034921 -0.011615 0.047504 -0.015589 -0.005281 0.016142 -0.070067 0.208053 -0.380529 0.131777 0.059315 0.227161 -0.028506 0.038894 0.068186 0.210333 -0.059258 -0.145619 0.004758 -0.021296 0.024125 0.119698 -0.201208 0.132875 -0.202680 0.168508 0.294696 -0.022469 -0.078354 0.228228 -0.005316 -0.020391 0.008507 -0.002408 -0.017274 0.014016 0.117955 0.064846 -0.050934 -0.008076 0.013989 0.010292 -0.008351 0.011721 0.013361 0.017349 0.011695 0.015041 0.001915 -0.007196 0.001893 -0.009217 0.002136 -0.004059 0.000775 0.003298 0.031344 -0.064646 -0.132225 -0.881940 -0.005196 0.057209 -0.626128 -0.059720 -0.046944 -0.555438 -0.034127 0.001544 0.022527 -0.002469 0.000061 -0.011761 -0.072255 -0.104295 -0.125835 0.001948 -0.003662 0.011250 0.000012 -0.008273 -0.014004 -0.142690 -0.122125 -0.117638 0.010131 0.009102 -0.017458 0.008359 0.006329 0.000234 0.051217 -0.049766 -0.187513 0.006579 -0.012756 -0.005570 -0.010076 0.005228 0.007774 -0.083383 0.034147 -0.250109 -0.005360 0.003680 0.002092 0.403973 0.266705 -0.048701 0.065509 -0.005543 -0.039864 0.355333 0.346815 0.003802 0.000151 -0.039262 0.005775 0.000631 0.695556 -0.203131 -0.015196 0.016677 0.026597 0.008659 0.004920 0.023966 -0.592559 0.065057 0.350336 -0.004180 0.006350 -0.011100 0.005518 -0.013866 0.037355 -0.367502 -0.526382 1.010438 -0.052295 -0.047372 0.017220 -0.368950 -0.282142 -0.208525 0.020568 0.036141 0.020260 -0.085878 -0.038743 0.218973 0.027680 -0.027433 -0.009650 -0.004818 -0.020124 0.020461 0.647111 -0.048802 -0.185767 0.028371 0.005835 0.039115 -0.006157 -0.000181 0.000237 -0.280842 -0.234360 0.861083 -0.013881 0.003445 0.020054 -0.201031 -0.357956 1.236678 0.001996 0.011529 -0.013673 -0.009136 -0.671150 0.076792 0.001567 -0.027898 -0.025586 -0.011544 -0.011647 0.027873 0.129018 0.139209 -0.359476 0.018733 0.000086 0.039176 -0.007298 -0.000530 -0.041637 0.318928 0.535212 0.037830 0.002298 0.012153 -0.003623 0.339643 0.369659 0.038534 0.019261 -0.035736 0.028251 -0.033461 0.066813 -0.314261 0.001104 0.029873 0.008602 0.003603 0.010532 0.001326 -0.153894 -0.135102 -0.031579 -0.024435 -0.005481 0.032120 0.004344 0.005273 -0.007180 -0.008308 0.027312 0.013223 0.000512 0.068703 -0.480469 0.016345 -0.025513 -0.003188 0.015881 0.027962 -0.016935 0.018733 0.010602 0.005088 -0.065142 -0.051976 0.061776 -0.020348 -0.009746 0.023103 -0.069273 0.204317 -0.378715 0.131402 0.059233 0.226528 -0.028566 0.038285 0.069001 0.209400 -0.058863 -0.143331 0.003982 -0.032556 0.021909 0.118326 -0.201062 0.132614 -0.202722 0.168107 0.298683 -0.022402 -0.078890 0.227883 -0.002112 -0.022740 0.003172 -0.005072 -0.015690 0.011128 0.117471 0.064250 -0.051618 -0.008210 0.016023 0.011039 -0.010812 0.012603 0.016084 0.012079 0.021724 0.014348 0.001789 -0.007093 0.008815 -0.012733 0.003755 -0.005433 0.009953 0.006128 0.028230 -0.064318 -0.131778 -0.883331 -0.005400 0.056978 -0.627292 -0.059463 -0.046806 -0.556659 -0.038580 0.000226 0.023308 -0.002449 -0.004956 -0.006849 -0.071501 -0.104426 -0.125689 0.006959 0.000647 0.013343 -0.004532 -0.002483 -0.023655 -0.143002 -0.118261 -0.119719 0.011299 0.011498 -0.016614 0.008561 0.009368 -0.001851 0.054780 -0.048337 -0.182355 0.008293 -0.017316 0.000388 -0.010416 0.011577 0.002085 -0.082435 0.034286 -0.246138 -0.007994 0.008822 0.001473 0.402471 0.267986 -0.047705 0.068549 -0.001795 -0.039203 0.354925 0.347610 -0.021740 0.000777 -0.046463 0.033740 -0.000600 0.695870 -0.204094 -0.008105 0.027849 0.017453 0.012381 0.007356 0.026926 -0.594021 0.066976 0.349272 0.002026 0.015698 -0.019762 0.004867 -0.019364 0.040487 -0.366124 -0.527275 1.009485 -0.053522 -0.048057 0.013937 -0.367693 -0.280083 -0.207978 0.023073 0.040584 0.022459 -0.085720 -0.040330 0.218502 0.019065 -0.024981 -0.014827 -0.008073 -0.018839 0.024518 0.648177 -0.049157 -0.186200 0.042647 0.009162 0.040884 -0.004504 0.000996 -0.003508 -0.282197 -0.234724 0.858399 -0.014581 0.003920 0.018846 -0.206131 -0.358670 1.240125 0.007868 0.012947 -0.020625 -0.008064 -0.671592 0.076232 0.010783 -0.013090 -0.037143 -0.014303 -0.014667 0.026968 0.129794 0.137023 -0.359809 0.018841 -0.011846 0.047232 -0.007327 0.006144 -0.045994 0.319520 0.535819 0.036591 -0.000923 0.006709 -0.002714 0.343686 0.368279 0.041194 0.018652 -0.045596 0.031816 -0.034775 0.068397 -0.317991 -0.002073 0.031240 0.015906 0.006629 0.009497 0.001087 -0.155048 -0.134865 -0.031831 -0.023558 -0.007935 0.033345 0.002635 0.005355 -0.007661 -0.019667 0.043441 0.002163 0.003396 0.068367 -0.475438 0.024033 -0.039248 0.000302 0.026428 0.033085 -0.021783 0.021003 0.004570 0.010380 -0.128150 -0.133186 0.094428 -0.026158 -0.017281 0.034482 -0.067314 0.204268 -0.376280 0.131034 0.059052 0.226317 -0.028108 0.038770 0.070005 0.207194 -0.059338 -0.137447 -0.005543 -0.058602 0.017867 0.117970 -0.201320 0.131833 -0.202314 0.168473 0.294366 -0.023240 -0.080357 0.226848 0.004256 -0.021035 -0.015491 -0.009575 -0.013718 0.014780 0.116602 0.064149 -0.049112 -0.011126 0.013658 0.003733 -0.014320 0.017750 0.026482 0.004350 0.020256 0.012075 -0.002422 -0.008888 0.022263 -0.015812 0.006881 -0.007871 0.024780 0.012359 0.021875 -0.063689 -0.131926 -0.883837 -0.006175 0.058215 -0.628245 -0.059352 -0.048063 -0.557536 -0.046449 0.007529 0.026435 0.003292 -0.012848 0.004238 -0.070258 -0.105530 -0.126638 0.017465 0.012398 0.022079 0.001249 0.010184 -0.042955 -0.142671 -0.119423 -0.125232 0.017274 0.015626 -0.011946 0.006470 0.018087 -0.009529 0.053051 -0.044594 -0.170937 0.012078 -0.025528 0.013910 -0.011435 0.022762 -0.010658 -0.079986 0.034425 -0.231922 -0.010150 0.022024 -0.001040 0.401181 0.272355 -0.040511 0.050276 0.003679 -0.046950 0.353539 0.350293 0.003538 0.005059 -0.048553 0.026196 0.000001 0.694117 -0.202971 -0.007782 0.061283 -0.010576 0.035671 0.013350 0.036270 -0.593178 0.061588 0.348539 0.000845 0.027378 -0.044152 -0.005825 -0.044670 0.047845 -0.364808 -0.523280 1.006945 -0.034716 -0.045908 0.015555 -0.364092 -0.276093 -0.205728 0.025889 0.007625 0.032474 -0.086191 -0.040686 0.219115 0.012486 -0.016839 -0.028919 -0.022852 -0.009296 0.030642 0.647092 -0.048939 -0.185936 0.076079 0.009132 0.007022 0.003985 0.002689 0.015022 -0.284750 -0.237720 0.856728 -0.004797 0.008088 0.019482 -0.212558 -0.359817 1.251440 0.005003 0.017277 -0.046841 -0.013522 -0.669870 0.078278 0.040148 0.022315 -0.080507 -0.027301 -0.025801 0.026344 0.128528 0.141791 -0.357790 0.011566 -0.038271 0.055729 -0.008729 0.038882 -0.042501 0.321308 0.530914 0.033897 -0.011816 -0.006504 0.016129 0.347303 0.367500 0.046355 0.029877 -0.031765 0.045352 -0.030032 0.067997 -0.318707 -0.017395 0.036050 0.009284 0.016596 0.004589 0.013414 -0.154285 -0.135252 -0.029985 -0.018040 -0.021010 0.025963 0.002229 0.005932 -0.018448 -0.013531 0.028303 0.014673 0.003179 0.068407 -0.479791 0.016663 -0.029009 -0.006639 0.017330 0.026190 -0.019818 0.017862 0.010396 0.010328 -0.078650 -0.067068 0.068751 -0.020551 -0.009832 0.024552 -0.068952 0.205522 -0.377389 0.131323 0.059197 0.226908 -0.028563 0.038651 0.069117 0.208745 -0.059534 -0.140898 0.000038 -0.039344 0.021903 0.118812 -0.201477 0.132494 -0.202720 0.168420 0.297176 -0.022757 -0.079021 0.227769 -0.000767 -0.021326 -0.001923 -0.006370 -0.016475 0.011875 0.117114 0.064415 -0.050078 -0.009458 0.014116 0.007402 -0.011570 0.014752 0.020287 0.009496 0.020142 0.013112 0.000352 -0.008371 0.012123 -0.012235 0.004801 -0.005378 0.013012 0.007266 0.026260 -0.064331 -0.132211 -0.883002 -0.005664 0.057377 -0.626988 -0.059711 -0.047392 -0.556161 -0.040984 0.004516 0.024229 -0.000135 -0.006459 -0.003483 -0.071358 -0.104924 -0.125977 0.009843 0.004700 0.017488 -0.000091 0.001146 -0.027467 -0.142564 -0.119865 -0.120411 0.013015 0.011551 -0.015164 0.007545 0.012557 -0.004311 0.052668 -0.047181 -0.179697 0.009275 -0.019236 0.003880 -0.010872 0.013920 -0.000203 -0.081778 0.034174 -0.240648 -0.007694 0.012703 0.000588 0.402439 0.268989 -0.045097 0.060314 -0.003222 -0.043952 0.353912 0.348013 -0.007407 0.002769 -0.044490 0.026793 0.000129 0.694953 -0.203080 0.001071 0.036848 0.007160 0.022181 0.009696 0.030080 -0.593284 0.064556 0.349039 -0.000420 0.024075 -0.029220 -0.000079 -0.029449 0.042302 -0.366178 -0.525133 1.008697 -0.042562 -0.046081 0.016126 -0.366937 -0.279426 -0.207392 0.022264 0.021868 0.025652 -0.086044 -0.039678 0.219492 0.007396 -0.021707 -0.019747 -0.014428 -0.012605 0.025414 0.647345 -0.049337 -0.185956 0.053080 0.008045 0.022557 -0.000053 0.000480 0.009573 -0.282572 -0.235538 0.858358 -0.009020 0.005666 0.019823 -0.205869 -0.358782 1.243486 0.003369 0.013147 -0.029096 -0.009249 -0.670868 0.076964 0.021766 -0.004109 -0.054978 -0.019446 -0.019289 0.023306 0.128312 0.139506 -0.358807 0.015725 -0.025775 0.049862 -0.008722 0.019877 -0.042007 0.319602 0.533519 0.035980 -0.004946 0.004192 0.003389 0.342091 0.368333 0.042534 0.024895 -0.033182 0.036866 -0.033826 0.067148 -0.315790 -0.008458 0.031967 0.008032 0.010238 0.006284 0.010421 -0.153613 -0.134909 -0.031016 -0.021237 -0.013978 0.028688 0.003075 0.005902 -0.012539 0.010456 0.012891 0.000129 0.002382 0.067481 -0.479776 0.008225 -0.018615 0.008517 -0.001133 -0.016197 0.004427 0.015464 -0.006364 0.008204 0.032825 -0.031272 0.012718 -0.008532 -0.016061 0.025143 -0.079241 0.209144 -0.363427 0.131614 0.059485 0.224972 -0.027413 0.039332 0.072367 0.210668 -0.067962 -0.132713 0.000861 -0.027861 -0.014259 0.118163 -0.201136 0.130154 -0.202989 0.168150 0.295810 -0.023596 -0.080916 0.225434 0.001534 -0.000966 -0.003837 0.002823 -0.005430 0.019719 0.119026 0.064314 -0.044228 -0.007487 0.001424 0.007066 -0.016221 -0.005888 0.008538 -0.005504 0.026220 0.012374 0.001586 -0.008642 0.033453 -0.008717 -0.003619 -0.014504 0.014115 0.015612 0.020246 -0.063490 -0.130934 -0.883592 -0.006030 0.058932 -0.632464 -0.058579 -0.048489 -0.562185 0.009939 -0.000309 0.007196 -0.002697 -0.002862 0.022530 -0.072543 -0.105406 -0.121284 0.012531 0.006436 0.014415 -0.007055 0.006280 -0.025755 -0.145667 -0.117467 -0.121573 0.012198 0.010025 -0.003176 -0.002166 0.007270 0.007403 0.058492 -0.039081 -0.164186 0.008606 -0.014732 0.010201 0.000974 0.009839 -0.022031 -0.074149 0.036703 -0.227395 -0.005233 0.004262 -0.004651 0.389387 0.259400 -0.030199 0.018240 0.011337 -0.010672 0.352541 0.345532 -0.005041 -0.008971 -0.020327 0.022163 -0.001494 0.692496 -0.204415 -0.029757 0.012814 -0.013266 0.019044 0.014282 0.030479 -0.591961 0.061190 0.351213 -0.038401 0.003028 -0.041497 -0.014446 -0.023770 0.041279 -0.356383 -0.521509 1.007434 -0.048779 -0.014507 0.004846 -0.359848 -0.272150 -0.197139 0.012365 0.015504 0.022098 -0.085543 -0.039275 0.220952 0.023923 -0.006909 -0.025792 -0.011166 -0.012952 0.022000 0.645775 -0.049936 -0.186454 0.002295 -0.002257 0.015740 0.007135 0.000287 0.005610 -0.283700 -0.232018 0.863264 -0.009905 0.002842 0.014597 -0.203570 -0.351566 1.250704 -0.003291 0.029413 -0.009912 -0.013629 -0.668576 0.077066 0.016170 0.010666 -0.034866 -0.006799 -0.029959 0.018518 0.129141 0.142107 -0.357386 -0.001299 -0.013663 0.039495 -0.007393 0.018980 -0.044230 0.319957 0.529378 0.022574 0.007252 -0.005525 0.025538 0.342364 0.365464 0.054236 0.020010 -0.033518 0.030535 -0.030332 0.066395 -0.321145 -0.003897 0.013709 0.008922 0.004969 -0.003365 0.015116 -0.154954 -0.133595 -0.029685 -0.001925 -0.012401 0.014524 0.002835 -0.000638 -0.017183 0.024934 0.004643 -0.008608 0.002310 0.066969 -0.480371 0.002262 -0.010877 0.016906 -0.011923 -0.046705 0.016540 0.015074 -0.014081 0.007119 0.097463 -0.008445 -0.020043 -0.000295 -0.019894 0.024540 -0.085519 0.211261 -0.354571 0.131729 0.059723 0.223947 -0.026944 0.039599 0.074040 0.211823 -0.073181 -0.127397 0.001200 -0.021599 -0.035693 0.117627 -0.200877 0.128727 -0.203241 0.167871 0.295973 -0.023838 -0.081856 0.224027 0.003659 0.011836 -0.004059 0.008796 0.000903 0.023023 0.120064 0.064087 -0.041189 -0.005700 -0.006591 0.006356 -0.019262 -0.018837 0.000959 -0.015569 0.032376 0.011726 0.002334 -0.009217 0.046429 -0.006158 -0.008585 -0.020204 0.014033 0.020991 0.016264 -0.062969 -0.130205 -0.884329 -0.006061 0.059734 -0.635782 -0.057986 -0.049008 -0.565975 0.043836 -0.002790 -0.003585 -0.004040 -0.000775 0.037679 -0.073172 -0.105729 -0.118226 0.014686 0.008498 0.014205 -0.010092 0.009359 -0.024890 -0.147422 -0.115660 -0.121867 0.010579 0.008311 0.003855 -0.007808 0.003581 0.014279 0.062081 -0.034221 -0.155431 0.007350 -0.012913 0.015175 0.009571 0.007119 -0.034882 -0.069728 0.038253 -0.219331 -0.003365 -0.000634 -0.008166 0.381896 0.253970 -0.020683 -0.010415 0.021204 0.006227 0.351269 0.344047 -0.008078 -0.014181 -0.005350 0.023090 -0.002362 0.691509 -0.205275 -0.039480 -0.003534 -0.021182 0.017014 0.017032 0.031356 -0.590979 0.060260 0.352505 -0.060746 -0.007000 -0.051556 -0.023179 -0.019539 0.042238 -0.350911 -0.519865 1.006762 -0.049379 0.007116 0.000949 -0.355632 -0.267874 -0.191017 0.007395 0.010701 0.022847 -0.085388 -0.039327 0.221907 0.024482 0.003250 -0.030443 -0.011460 -0.010319 0.019048 0.644681 -0.050252 -0.186803 -0.030878 -0.009036 0.008540 0.011182 -0.000757 0.004654 -0.284375 -0.230332 0.867152 -0.010896 0.001675 0.010919 -0.202885 -0.347262 1.256343 -0.005981 0.040035 -0.001685 -0.014910 -0.667684 0.077124 0.014249 0.020525 -0.025417 0.000154 -0.038001 0.013964 0.130589 0.142912 -0.356765 -0.010804 -0.009009 0.033991 -0.008171 0.016633 -0.046244 0.320081 0.527585 0.014709 0.015773 -0.011854 0.039006 0.342907 0.363990 0.061499 0.016104 -0.032965 0.030215 -0.029344 0.066248 -0.324697 -0.002816 0.000140 0.007164 0.002971 -0.009164 0.019560 -0.156730 -0.133056 -0.028737 0.008162 -0.013819 0.009220 0.002669 -0.005263 -0.019575 0.016450 -0.012683 0.007800 0.005399 0.068966 -0.490464 -0.002789 0.010858 0.025557 -0.009197 0.027342 0.015325 -0.001571 -0.033373 -0.004879 -0.110149 0.048589 -0.049523 0.005961 -0.012788 0.010044 -0.089059 0.212773 -0.368114 0.132096 0.059242 0.225072 -0.028342 0.039629 0.075780 0.210346 -0.072985 -0.128610 -0.004595 -0.002063 -0.021849 0.116851 -0.200774 0.127082 -0.204061 0.167140 0.297411 -0.024115 -0.083299 0.222123 0.006879 0.011470 0.000061 0.006117 0.016504 0.023279 0.126661 0.066130 -0.033370 0.004873 -0.010554 0.004562 0.001513 -0.001441 -0.018821 -0.011837 0.005360 0.013190 0.004227 -0.001004 0.027839 0.007249 -0.001819 -0.007518 0.016513 0.010279 0.000387 -0.062576 -0.129046 -0.885439 -0.006374 0.060625 -0.637464 -0.057843 -0.049567 -0.566529 -0.004995 -0.005931 0.006175 0.005899 0.005540 0.018884 -0.073365 -0.109236 -0.109725 0.007251 0.019292 0.006730 -0.014003 -0.016126 -0.001866 -0.155181 -0.110951 -0.112319 -0.008282 0.002327 0.020542 -0.001234 -0.010223 0.023090 0.062986 -0.037068 -0.147741 -0.002150 -0.018749 0.016753 0.011398 -0.010004 -0.021910 -0.065224 0.036281 -0.196961 -0.007477 -0.014287 0.002048 0.377183 0.248250 -0.017685 0.013694 0.012351 0.008393 0.348341 0.338905 -0.008314 -0.002314 -0.014784 0.004655 -0.003043 0.689144 -0.206620 -0.012619 -0.031519 -0.024742 -0.000531 0.000021 0.018479 -0.588063 0.058054 0.357768 0.039579 -0.018610 -0.038832 -0.005671 0.006290 0.031859 -0.347911 -0.517056 1.015989 -0.012520 0.025266 0.000585 -0.350516 -0.265115 -0.188726 -0.008234 0.020134 0.011052 -0.086493 -0.038780 0.225881 0.021589 0.009481 -0.008309 0.005145 -0.001831 0.000099 0.643961 -0.050265 -0.186403 0.030611 -0.004449 0.000343 -0.006829 -0.004558 -0.000759 -0.280884 -0.228707 0.879490 -0.023124 -0.010927 0.009766 -0.195843 -0.340233 1.264845 -0.013315 -0.009585 0.013802 -0.017335 -0.666078 0.077931 0.018593 0.002860 0.006204 0.024494 -0.017180 -0.000882 0.131732 0.143444 -0.355585 -0.007574 0.006715 0.024440 -0.007303 -0.011903 -0.032663 0.317149 0.523968 0.009482 0.025591 -0.009885 0.028400 0.339048 0.361981 0.074237 0.004217 -0.009774 -0.004073 -0.027855 0.065104 -0.328369 -0.002500 -0.017148 0.005134 -0.012277 -0.017166 0.015943 -0.158368 -0.133376 -0.027390 0.021133 -0.008987 -0.003034 0.004811 -0.008429 -0.019026 0.012197 -0.014496 0.009115 0.007019 0.069065 -0.492985 -0.003986 0.014330 0.026812 -0.009518 0.038673 0.014771 -0.003198 -0.036688 -0.004933 -0.141782 0.057111 -0.054779 0.006593 -0.011516 0.007786 -0.089556 0.213605 -0.369954 0.132276 0.059042 0.224990 -0.028616 0.039603 0.075523 0.210336 -0.073379 -0.128541 -0.006041 0.000014 -0.020501 0.117071 -0.200960 0.126454 -0.204076 0.167301 0.296367 -0.023450 -0.082954 0.221299 0.006977 0.012825 -0.001107 0.005858 0.018551 0.023189 0.127536 0.066414 -0.032617 0.006671 -0.012478 0.001951 0.004582 0.001129 -0.022003 -0.011493 0.002338 0.012075 0.004823 -0.000109 0.024473 0.010005 -0.000884 -0.006120 0.015898 0.009028 -0.001385 -0.062251 -0.128726 -0.886101 -0.006040 0.060677 -0.638281 -0.057877 -0.049443 -0.566487 -0.012311 -0.005609 0.007193 0.007705 0.006818 0.015792 -0.073169 -0.109585 -0.108744 0.006263 0.021627 0.005736 -0.013192 -0.019775 0.001728 -0.156101 -0.110797 -0.110857 -0.011367 0.000236 0.022324 -0.001222 -0.012190 0.023626 0.062648 -0.037534 -0.147632 -0.003185 -0.019317 0.016831 0.011926 -0.012329 -0.020570 -0.064276 0.036076 -0.193395 -0.006581 -0.015551 0.003102 0.377020 0.248019 -0.016393 0.018517 0.011027 0.010121 0.347948 0.338456 -0.004792 -0.000311 -0.018791 -0.000413 -0.002795 0.688505 -0.206975 -0.003631 -0.034185 -0.024623 -0.003801 -0.000186 0.019092 -0.587745 0.060299 0.358399 0.052239 -0.017460 -0.039122 -0.004389 0.007941 0.034766 -0.347286 -0.516912 1.018068 -0.009109 0.027382 0.001007 -0.349904 -0.264599 -0.188080 -0.009137 0.019613 0.010447 -0.086241 -0.038532 0.226471 0.017394 0.009552 -0.006117 0.005500 -0.003211 0.000337 0.644313 -0.049745 -0.186422 0.039614 -0.003335 -0.004660 -0.010320 -0.003968 0.002495 -0.279887 -0.228722 0.881658 -0.026300 -0.011375 0.010669 -0.194549 -0.339316 1.266241 -0.015051 -0.013330 0.014238 -0.015454 -0.665466 0.077837 0.020294 0.000254 0.009272 0.027374 -0.016455 -0.002205 0.130734 0.140797 -0.355895 -0.008347 0.006942 0.024213 -0.006704 -0.015831 -0.031005 0.316824 0.523852 0.008989 0.029670 -0.010861 0.027864 0.338394 0.361668 0.075956 0.003218 -0.005922 -0.006150 -0.029679 0.064786 -0.328697 -0.002880 -0.019398 0.004699 -0.013301 -0.018824 0.015909 -0.157275 -0.133756 -0.027459 0.022716 -0.010244 -0.004958 0.005235 -0.008809 -0.018929 -0.004139 -0.002490 0.009693 0.007425 0.071279 -0.500373 -0.002413 0.009787 0.024829 0.005963 0.001650 0.011500 -0.019730 -0.007070 -0.006881 0.017640 -0.029829 -0.024076 0.006320 -0.008259 -0.001427 -0.088967 0.209296 -0.380471 0.132119 0.059101 0.226020 -0.027669 0.039389 0.074827 0.210500 -0.062773 -0.136413 0.008683 0.011429 0.009957 0.115988 -0.200277 0.124040 -0.204503 0.166217 0.299604 -0.024276 -0.084163 0.220069 0.007793 -0.000492 0.000619 -0.002495 0.021545 0.015406 0.134110 0.069989 -0.021469 0.008819 -0.008436 0.002228 0.018490 -0.003853 -0.008316 -0.008110 -0.000311 0.005713 0.001204 0.008648 -0.003345 0.002425 0.006146 0.017010 0.013100 -0.006656 0.001227 -0.061540 -0.126550 -0.888134 -0.005593 0.061598 -0.639249 -0.056891 -0.049737 -0.565765 -0.048205 0.003030 -0.000234 0.002667 0.000856 -0.004676 -0.072868 -0.112148 -0.103922 -0.003860 -0.001761 0.002020 -0.005021 -0.009377 0.013675 -0.163707 -0.101699 -0.107566 -0.011374 -0.003231 0.026325 0.005185 -0.017832 0.021148 0.066784 -0.045269 -0.140651 -0.004685 -0.018762 0.005681 0.005557 -0.010581 -0.003353 -0.073487 0.030760 -0.198779 -0.006470 -0.013161 0.010642 0.359983 0.254830 -0.020919 0.017093 -0.018712 -0.002288 0.348494 0.332611 -0.014510 0.009169 0.009942 0.004932 -0.003321 0.689539 -0.207954 -0.018453 -0.002085 -0.014381 -0.009406 -0.014344 -0.001332 -0.587736 0.056718 0.365639 0.002102 -0.027509 -0.028569 0.011981 0.008547 0.020503 -0.340249 -0.515545 1.025383 0.026784 0.010452 0.012730 -0.346480 -0.257600 -0.187484 -0.017169 0.022975 -0.012861 -0.087723 -0.039575 0.229229 0.020921 0.012202 0.023166 0.008113 0.007597 -0.008365 0.644380 -0.049100 -0.186149 -0.015570 0.011697 -0.008540 -0.016463 -0.003190 -0.001942 -0.272513 -0.232084 0.889684 -0.031012 -0.009847 0.013995 -0.191267 -0.329079 1.270399 -0.006884 -0.026180 0.013059 -0.020020 -0.666313 0.079013 -0.011227 0.015570 0.009606 0.017476 0.008008 -0.008774 0.134539 0.143575 -0.355325 0.002464 0.029499 0.015696 -0.002041 -0.014291 0.001946 0.311859 0.521337 0.014450 0.028151 -0.008121 0.010193 0.339393 0.354022 0.088043 -0.000138 -0.006709 -0.031328 -0.025856 0.066080 -0.332874 0.001517 -0.015121 -0.005092 -0.013719 -0.011891 0.007962 -0.161818 -0.134199 -0.026562 0.013583 -0.012252 -0.012003 0.006298 -0.007459 -0.015508</matrix>
               </module>
            </module>
            <module dictRef="cc:userDefinedModule" id="positions">
               <molecule id="calculation.position.2">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a66" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.3">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.00395"
                           xFract="0.00046801"
                           y3="-0.00013"
                           yFract="-0.0000154"
                           z3="6.33476"
                           zFract="0.28509271"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.22149"
                           xFract="0.50017654"
                           y3="6.32454"
                           yFract="0.74935308"
                           z3="8.42302"
                           zFract="0.37907381"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.11008"
                           xFract="0.25000948"
                           y3="6.3326"
                           yFract="0.75030806"
                           z3="6.3360"
                           zFract="0.28514851"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32868"
                           xFract="0.7498436"
                           y3="4.21793"
                           yFract="0.49975474"
                           z3="4.22135"
                           zFract="0.18997975"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00435"
                           xFract="0.0005154"
                           y3="2.1082"
                           yFract="0.24978673"
                           z3="4.23222"
                           zFract="0.19046895"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.00094"
                           xFract="-0.00011137"
                           y3="6.32967"
                           yFract="0.7499609"
                           z3="8.42659"
                           zFract="0.37923447"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="-0.00311"
                           xFract="-0.00036848"
                           y3="4.21926"
                           yFract="0.49991232"
                           z3="6.32601"
                           zFract="0.28469892"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33233"
                           xFract="0.75027607"
                           y3="-0.0066"
                           yFract="-0.00078199"
                           z3="8.41934"
                           zFract="0.37890819"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10769"
                           xFract="0.2497263"
                           y3="-0.00799"
                           yFract="-0.00094668"
                           z3="8.41728"
                           zFract="0.37881548"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32563"
                           xFract="0.74948223"
                           y3="4.22674"
                           yFract="0.50079858"
                           z3="8.42242"
                           zFract="0.3790468"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11928"
                           xFract="0.25109953"
                           y3="4.21844"
                           yFract="0.49981517"
                           z3="4.21544"
                           zFract="0.18971377"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.10966"
                           xFract="0.24995972"
                           y3="0.00111"
                           yFract="0.00013152"
                           z3="4.21891"
                           zFract="0.18986994"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.00508"
                           xFract="0.0006019"
                           y3="6.32939"
                           yFract="0.74992773"
                           z3="4.21493"
                           zFract="0.18969082"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22274"
                           xFract="0.50032464"
                           y3="4.21503"
                           yFract="0.49941114"
                           z3="6.33153"
                           zFract="0.28494734"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3256"
                           xFract="0.74947867"
                           y3="2.11474"
                           yFract="0.25056161"
                           z3="6.33318"
                           zFract="0.2850216"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.11384"
                           xFract="0.25045498"
                           y3="2.10725"
                           yFract="0.24967417"
                           z3="6.32609"
                           zFract="0.28470252"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2175"
                           xFract="0.49970379"
                           y3="2.11339"
                           yFract="0.25040166"
                           z3="4.21661"
                           zFract="0.18976643"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.33086"
                           xFract="0.7501019"
                           y3="0.00318"
                           yFract="0.00037678"
                           z3="4.23011"
                           zFract="0.19037399"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2160"
                           xFract="0.49952607"
                           y3="0.00485"
                           yFract="0.00057464"
                           z3="6.3369"
                           zFract="0.28518902"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21413"
                           xFract="0.4993045"
                           y3="6.32786"
                           yFract="0.74974645"
                           z3="4.21351"
                           zFract="0.18962691"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00111"
                           xFract="-0.00013152"
                           y3="2.10913"
                           yFract="0.24989692"
                           z3="8.44484"
                           zFract="0.38005581"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.11209"
                           xFract="0.25024763"
                           y3="4.2271"
                           yFract="0.50084123"
                           z3="8.44155"
                           zFract="0.37990774"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3294"
                           xFract="0.74992891"
                           y3="6.32627"
                           yFract="0.74955806"
                           z3="6.33758"
                           zFract="0.28521962"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.22109"
                           xFract="0.50012915"
                           y3="2.11371"
                           yFract="0.25043957"
                           z3="8.43829"
                           zFract="0.37976103"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0025"
                           xFract="0.00029621"
                           y3="2.10916"
                           yFract="0.24990047"
                           z3="6.28937"
                           zFract="0.28304995"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.09371"
                           xFract="0.24806991"
                           y3="-0.02151"
                           yFract="-0.00254858"
                           z3="6.35383"
                           zFract="0.28595095"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="-0.00367"
                           xFract="-0.00043483"
                           y3="0.0277"
                           yFract="0.00328199"
                           z3="4.23013"
                           zFract="0.19037489"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0016"
                           xFract="0.00018957"
                           y3="-0.00371"
                           yFract="-0.00043957"
                           z3="8.45332"
                           zFract="0.38043744"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.08316"
                           xFract="0.24681991"
                           y3="2.13781"
                           yFract="0.25329502"
                           z3="4.2074"
                           zFract="0.18935194"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10873"
                           xFract="0.24984953"
                           y3="2.09888"
                           yFract="0.24868246"
                           z3="8.46093"
                           zFract="0.38077993"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.21708"
                           xFract="0.49965403"
                           y3="2.09632"
                           yFract="0.24837915"
                           z3="6.31219"
                           zFract="0.28407696"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3443"
                           xFract="0.75169431"
                           y3="-0.00385"
                           yFract="-0.00045616"
                           z3="6.33606"
                           zFract="0.28515122"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.22267"
                           xFract="0.50031635"
                           y3="-0.00218"
                           yFract="-0.00025829"
                           z3="4.19839"
                           zFract="0.18894644"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21833"
                           xFract="0.49980213"
                           y3="-0.0053"
                           yFract="-0.00062796"
                           z3="8.46646"
                           zFract="0.3810288"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.35676"
                           xFract="0.75317062"
                           y3="2.12219"
                           yFract="0.25144431"
                           z3="4.21798"
                           zFract="0.18982808"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33142"
                           xFract="0.75016825"
                           y3="2.11061"
                           yFract="0.25007227"
                           z3="8.47137"
                           zFract="0.38124977"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.02467"
                           xFract="0.00292299"
                           y3="6.33249"
                           yFract="0.75029502"
                           z3="6.33961"
                           zFract="0.28531098"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.08902"
                           xFract="0.24751422"
                           y3="4.24122"
                           yFract="0.50251422"
                           z3="6.3014"
                           zFract="0.28359136"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0030"
                           xFract="0.00035545"
                           y3="4.1937"
                           yFract="0.49688389"
                           z3="4.22176"
                           zFract="0.1899982"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01051"
                           xFract="-0.00124526"
                           y3="4.22284"
                           yFract="0.50033649"
                           z3="8.4455"
                           zFract="0.38008551"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.11131"
                           xFract="0.25015521"
                           y3="6.30006"
                           yFract="0.74645261"
                           z3="4.24321"
                           zFract="0.19096355"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11125"
                           xFract="0.2501481"
                           y3="6.33848"
                           yFract="0.75100474"
                           z3="8.4362"
                           zFract="0.37966697"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.19568"
                           xFract="0.49711848"
                           y3="6.34492"
                           yFract="0.75176777"
                           z3="6.34742"
                           zFract="0.28566247"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.35197"
                           xFract="0.75260308"
                           y3="4.22409"
                           yFract="0.5004846"
                           z3="6.32574"
                           zFract="0.28468677"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.22133"
                           xFract="0.50015758"
                           y3="4.22135"
                           yFract="0.50015995"
                           z3="4.21962"
                           zFract="0.18990189"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22758"
                           xFract="0.5008981"
                           y3="4.22806"
                           yFract="0.50095498"
                           z3="8.46095"
                           zFract="0.38078083"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.32843"
                           xFract="0.74981398"
                           y3="6.32114"
                           yFract="0.74895024"
                           z3="4.20714"
                           zFract="0.18934023"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32841"
                           xFract="0.74981161"
                           y3="6.32986"
                           yFract="0.74998341"
                           z3="8.46352"
                           zFract="0.38089649"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a66" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.4">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.00585"
                           xFract="0.00069313"
                           y3="-0.00019"
                           yFract="-0.00002251"
                           z3="6.33723"
                           zFract="0.28520387"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.22221"
                           xFract="0.50026185"
                           y3="6.32193"
                           yFract="0.74904384"
                           z3="8.41507"
                           zFract="0.37871602"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.11012"
                           xFract="0.25001422"
                           y3="6.33385"
                           yFract="0.75045616"
                           z3="6.33907"
                           zFract="0.28528668"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32804"
                           xFract="0.74976777"
                           y3="4.21693"
                           yFract="0.49963626"
                           z3="4.22209"
                           zFract="0.19001305"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00644"
                           xFract="0.00076303"
                           y3="2.10734"
                           yFract="0.24968483"
                           z3="4.23817"
                           zFract="0.19073672"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.00139"
                           xFract="-0.00016469"
                           y3="6.32951"
                           yFract="0.74994194"
                           z3="8.42035"
                           zFract="0.37895365"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="-0.0046"
                           xFract="-0.00054502"
                           y3="4.2189"
                           yFract="0.49986967"
                           z3="6.3243"
                           zFract="0.28462196"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33344"
                           xFract="0.75040758"
                           y3="-0.00976"
                           yFract="-0.0011564"
                           z3="8.40963"
                           zFract="0.3784712"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10658"
                           xFract="0.24959479"
                           y3="-0.01182"
                           yFract="-0.00140047"
                           z3="8.40658"
                           zFract="0.37833393"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32353"
                           xFract="0.74923341"
                           y3="4.22997"
                           yFract="0.50118128"
                           z3="8.41418"
                           zFract="0.37867597"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.12372"
                           xFract="0.25162559"
                           y3="4.21769"
                           yFract="0.4997263"
                           z3="4.21336"
                           zFract="0.18962016"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1095"
                           xFract="0.24994076"
                           y3="0.00163"
                           yFract="0.00019313"
                           z3="4.21849"
                           zFract="0.18985104"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.00751"
                           xFract="0.00088981"
                           y3="6.32909"
                           yFract="0.74989218"
                           z3="4.2126"
                           zFract="0.18958596"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22406"
                           xFract="0.50048104"
                           y3="4.21265"
                           yFract="0.49912915"
                           z3="6.33246"
                           zFract="0.2849892"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32349"
                           xFract="0.74922867"
                           y3="2.11701"
                           yFract="0.25083057"
                           z3="6.3349"
                           zFract="0.28509901"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.11567"
                           xFract="0.2506718"
                           y3="2.10593"
                           yFract="0.24951777"
                           z3="6.32442"
                           zFract="0.28462736"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21631"
                           xFract="0.4995628"
                           y3="2.11502"
                           yFract="0.25059479"
                           z3="4.21508"
                           zFract="0.18969757"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.33128"
                           xFract="0.75015166"
                           y3="0.0047"
                           yFract="0.00055687"
                           z3="4.23505"
                           zFract="0.19059631"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.21408"
                           xFract="0.49929858"
                           y3="0.00717"
                           yFract="0.00084953"
                           z3="6.34041"
                           zFract="0.28534698"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21132"
                           xFract="0.49897156"
                           y3="6.32684"
                           yFract="0.74962559"
                           z3="4.2105"
                           zFract="0.18949145"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00164"
                           xFract="-0.00019431"
                           y3="2.10872"
                           yFract="0.24984834"
                           z3="8.44735"
                           zFract="0.38016877"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1131"
                           xFract="0.2503673"
                           y3="4.2305"
                           yFract="0.50124408"
                           z3="8.44249"
                           zFract="0.37995005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32912"
                           xFract="0.74989573"
                           y3="6.32448"
                           yFract="0.74934597"
                           z3="6.34141"
                           zFract="0.28539199"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.22161"
                           xFract="0.50019076"
                           y3="2.11548"
                           yFract="0.25064929"
                           z3="8.43767"
                           zFract="0.37973312"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0037"
                           xFract="0.00043839"
                           y3="2.10876"
                           yFract="0.24985308"
                           z3="6.27009"
                           zFract="0.28218227"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.08591"
                           xFract="0.24714573"
                           y3="-0.03181"
                           yFract="-0.00376896"
                           z3="6.36545"
                           zFract="0.2864739"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="-0.00543"
                           xFract="-0.00064336"
                           y3="0.04097"
                           yFract="0.00485427"
                           z3="4.23509"
                           zFract="0.19059811"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00236"
                           xFract="0.00027962"
                           y3="-0.00549"
                           yFract="-0.00065047"
                           z3="8.45989"
                           zFract="0.38073312"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.07029"
                           xFract="0.24529502"
                           y3="2.15114"
                           yFract="0.25487441"
                           z3="4.20146"
                           zFract="0.18908461"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10813"
                           xFract="0.24977844"
                           y3="2.09355"
                           yFract="0.24805095"
                           z3="8.47115"
                           zFract="0.38123987"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.21568"
                           xFract="0.49948815"
                           y3="2.08976"
                           yFract="0.2476019"
                           z3="6.30386"
                           zFract="0.28370207"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.35115"
                           xFract="0.75250592"
                           y3="-0.0057"
                           yFract="-0.00067536"
                           z3="6.33916"
                           zFract="0.28529073"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.22395"
                           xFract="0.50046801"
                           y3="-0.00323"
                           yFract="-0.0003827"
                           z3="4.18813"
                           zFract="0.1884847"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21753"
                           xFract="0.49970735"
                           y3="-0.00785"
                           yFract="-0.00093009"
                           z3="8.47934"
                           zFract="0.38160846"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.36959"
                           xFract="0.75469076"
                           y3="2.12803"
                           yFract="0.25213626"
                           z3="4.21711"
                           zFract="0.18978893"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3321"
                           xFract="0.75024882"
                           y3="2.1109"
                           yFract="0.25010664"
                           z3="8.4866"
                           zFract="0.38193519"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.03649"
                           xFract="0.00432346"
                           y3="6.33368"
                           yFract="0.75043602"
                           z3="6.34441"
                           zFract="0.285527"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.07897"
                           xFract="0.24632346"
                           y3="4.25138"
                           yFract="0.50371801"
                           z3="6.28789"
                           zFract="0.28298335"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.00444"
                           xFract="0.00052607"
                           y3="4.1811"
                           yFract="0.495391"
                           z3="4.22269"
                           zFract="0.19004005"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01555"
                           xFract="-0.00184242"
                           y3="4.2242"
                           yFract="0.50049763"
                           z3="8.44833"
                           zFract="0.38021287"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.11194"
                           xFract="0.25022986"
                           y3="6.28572"
                           yFract="0.74475355"
                           z3="4.25443"
                           zFract="0.1914685"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11184"
                           xFract="0.25021801"
                           y3="6.34254"
                           yFract="0.75148578"
                           z3="8.43457"
                           zFract="0.37959361"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.18403"
                           xFract="0.49573815"
                           y3="6.35207"
                           yFract="0.75261493"
                           z3="6.35597"
                           zFract="0.28604725"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.36249"
                           xFract="0.75384953"
                           y3="4.22605"
                           yFract="0.50071682"
                           z3="6.3239"
                           zFract="0.28460396"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.22196"
                           xFract="0.50023223"
                           y3="4.2220"
                           yFract="0.50023697"
                           z3="4.21953"
                           zFract="0.18989784"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23121"
                           xFract="0.5013282"
                           y3="4.23192"
                           yFract="0.50141232"
                           z3="8.47118"
                           zFract="0.38124122"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.32768"
                           xFract="0.74972512"
                           y3="6.31689"
                           yFract="0.74844668"
                           z3="4.20108"
                           zFract="0.18906751"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32765"
                           xFract="0.74972156"
                           y3="6.3298"
                           yFract="0.7499763"
                           z3="8.47498"
                           zFract="0.38141224"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a66" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.5">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.00964"
                           xFract="0.00114218"
                           y3="-0.00031"
                           yFract="-0.00003673"
                           z3="6.34219"
                           zFract="0.28542709"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.22364"
                           xFract="0.50043128"
                           y3="6.31669"
                           yFract="0.74842299"
                           z3="8.39918"
                           zFract="0.3780009"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.11019"
                           xFract="0.25002251"
                           y3="6.33634"
                           yFract="0.75075118"
                           z3="6.34522"
                           zFract="0.28556346"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32677"
                           xFract="0.7496173"
                           y3="4.21495"
                           yFract="0.49940166"
                           z3="4.22357"
                           zFract="0.19007966"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01061"
                           xFract="0.00125711"
                           y3="2.10561"
                           yFract="0.24947986"
                           z3="4.25008"
                           zFract="0.19127273"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.00229"
                           xFract="-0.00027133"
                           y3="6.32919"
                           yFract="0.74990403"
                           z3="8.40788"
                           zFract="0.37839244"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="-0.00758"
                           xFract="-0.0008981"
                           y3="4.2182"
                           yFract="0.49978673"
                           z3="6.32087"
                           zFract="0.2844676"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33567"
                           xFract="0.7506718"
                           y3="-0.01608"
                           yFract="-0.00190521"
                           z3="8.3902"
                           zFract="0.37759676"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10436"
                           xFract="0.24933175"
                           y3="-0.01947"
                           yFract="-0.00230687"
                           z3="8.38519"
                           zFract="0.37737129"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.31934"
                           xFract="0.74873697"
                           y3="4.23642"
                           yFract="0.5019455"
                           z3="8.39772"
                           zFract="0.37793519"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.13261"
                           xFract="0.25267891"
                           y3="4.21619"
                           yFract="0.49954858"
                           z3="4.20918"
                           zFract="0.18943204"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.10917"
                           xFract="0.24990166"
                           y3="0.00269"
                           yFract="0.00031872"
                           z3="4.21763"
                           zFract="0.18981233"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.01238"
                           xFract="0.00146682"
                           y3="6.32851"
                           yFract="0.74982346"
                           z3="4.20794"
                           zFract="0.18937624"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22669"
                           xFract="0.50079265"
                           y3="4.20789"
                           yFract="0.49856517"
                           z3="6.33433"
                           zFract="0.28507336"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.31928"
                           xFract="0.74872986"
                           y3="2.12155"
                           yFract="0.25136848"
                           z3="6.33834"
                           zFract="0.28525383"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.11935"
                           xFract="0.25110782"
                           y3="2.10329"
                           yFract="0.24920498"
                           z3="6.32107"
                           zFract="0.2844766"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21392"
                           xFract="0.49927962"
                           y3="2.11827"
                           yFract="0.25097986"
                           z3="4.21202"
                           zFract="0.18955986"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.33211"
                           xFract="0.75025"
                           y3="0.00774"
                           yFract="0.00091706"
                           z3="4.24493"
                           zFract="0.19104095"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.21025"
                           xFract="0.49884479"
                           y3="0.01181"
                           yFract="0.00139929"
                           z3="6.34742"
                           zFract="0.28566247"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20569"
                           xFract="0.4983045"
                           y3="6.32479"
                           yFract="0.7493827"
                           z3="4.20448"
                           zFract="0.18922052"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00271"
                           xFract="-0.00032109"
                           y3="2.10789"
                           yFract="0.24975"
                           z3="8.45237"
                           zFract="0.38039469"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1151"
                           xFract="0.25060427"
                           y3="4.23731"
                           yFract="0.50205095"
                           z3="8.44435"
                           zFract="0.38003375"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32854"
                           xFract="0.74982701"
                           y3="6.32091"
                           yFract="0.74892299"
                           z3="6.34907"
                           zFract="0.28573672"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.22265"
                           xFract="0.50031398"
                           y3="2.11904"
                           yFract="0.25107109"
                           z3="8.43642"
                           zFract="0.37967687"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.00609"
                           xFract="0.00072156"
                           y3="2.10795"
                           yFract="0.24975711"
                           z3="6.23155"
                           zFract="0.28044779"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.0703"
                           xFract="0.24529621"
                           y3="-0.05242"
                           yFract="-0.0062109"
                           z3="6.38869"
                           zFract="0.2875198"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="-0.00895"
                           xFract="-0.00106043"
                           y3="0.06752"
                           yFract="0.0080"
                           z3="4.24499"
                           zFract="0.19104365"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00389"
                           xFract="0.0004609"
                           y3="-0.00904"
                           yFract="-0.00107109"
                           z3="8.47304"
                           zFract="0.38132493"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.04456"
                           xFract="0.24224645"
                           y3="2.1778"
                           yFract="0.25803318"
                           z3="4.18957"
                           zFract="0.1885495"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10691"
                           xFract="0.24963389"
                           y3="2.08289"
                           yFract="0.24678791"
                           z3="8.4916"
                           zFract="0.38216022"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.21288"
                           xFract="0.4991564"
                           y3="2.07665"
                           yFract="0.24604858"
                           z3="6.28718"
                           zFract="0.2829514"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.36486"
                           xFract="0.75413033"
                           y3="-0.00939"
                           yFract="-0.00111256"
                           z3="6.34536"
                           zFract="0.28556976"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.22651"
                           xFract="0.50077133"
                           y3="-0.00532"
                           yFract="-0.00063033"
                           z3="4.16761"
                           zFract="0.18756121"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21593"
                           xFract="0.49951777"
                           y3="-0.01293"
                           yFract="-0.00153199"
                           z3="8.50508"
                           zFract="0.38276688"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.39524"
                           xFract="0.75772986"
                           y3="2.13971"
                           yFract="0.25352014"
                           z3="4.21537"
                           zFract="0.18971062"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33347"
                           xFract="0.75041114"
                           y3="2.11149"
                           yFract="0.25017654"
                           z3="8.51706"
                           zFract="0.38330603"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.06014"
                           xFract="0.00712559"
                           y3="6.33607"
                           yFract="0.75071919"
                           z3="6.35401"
                           zFract="0.28595905"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.05886"
                           xFract="0.24394076"
                           y3="4.27172"
                           yFract="0.50612796"
                           z3="6.26087"
                           zFract="0.28176733"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.00731"
                           xFract="0.00086611"
                           y3="4.15589"
                           yFract="0.49240403"
                           z3="4.22457"
                           zFract="0.19012466"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.02563"
                           xFract="-0.00303673"
                           y3="4.22691"
                           yFract="0.50081872"
                           z3="8.45398"
                           zFract="0.38046715"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.11319"
                           xFract="0.25037796"
                           y3="6.25703"
                           yFract="0.74135427"
                           z3="4.27687"
                           zFract="0.1924784"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11304"
                           xFract="0.25036019"
                           y3="6.35067"
                           yFract="0.75244905"
                           z3="8.43131"
                           zFract="0.37944689"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.16072"
                           xFract="0.4929763"
                           y3="6.36636"
                           yFract="0.75430806"
                           z3="6.37306"
                           zFract="0.28681638"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.38355"
                           xFract="0.75634479"
                           y3="4.22997"
                           yFract="0.50118128"
                           z3="6.32021"
                           zFract="0.28443789"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.22324"
                           xFract="0.50038389"
                           y3="4.22329"
                           yFract="0.50038981"
                           z3="4.21935"
                           zFract="0.18988974"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23848"
                           xFract="0.50218957"
                           y3="4.23965"
                           yFract="0.5023282"
                           z3="8.49165"
                           zFract="0.38216247"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.32618"
                           xFract="0.74954739"
                           y3="6.3084"
                           yFract="0.74744076"
                           z3="4.18894"
                           zFract="0.18852115"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32613"
                           xFract="0.74954147"
                           y3="6.32967"
                           yFract="0.7499609"
                           z3="8.4979"
                           zFract="0.38244374"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a66" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.6">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.00869"
                           xFract="0.00102962"
                           y3="-0.00028"
                           yFract="-0.00003318"
                           z3="6.34094"
                           zFract="0.28537084"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.22328"
                           xFract="0.50038863"
                           y3="6.31801"
                           yFract="0.74857938"
                           z3="8.40317"
                           zFract="0.37818047"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.11017"
                           xFract="0.25002014"
                           y3="6.33571"
                           yFract="0.75067654"
                           z3="6.34368"
                           zFract="0.28549415"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32709"
                           xFract="0.74965521"
                           y3="4.21545"
                           yFract="0.4994609"
                           z3="4.2232"
                           zFract="0.19006301"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00956"
                           xFract="0.0011327"
                           y3="2.10605"
                           yFract="0.24953199"
                           z3="4.24709"
                           zFract="0.19113816"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.00206"
                           xFract="-0.00024408"
                           y3="6.32927"
                           yFract="0.74991351"
                           z3="8.41101"
                           zFract="0.3785333"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="-0.00683"
                           xFract="-0.00080924"
                           y3="4.21837"
                           yFract="0.49980687"
                           z3="6.32173"
                           zFract="0.2845063"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33511"
                           xFract="0.75060545"
                           y3="-0.0145"
                           yFract="-0.00171801"
                           z3="8.39507"
                           zFract="0.37781593"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10492"
                           xFract="0.2493981"
                           y3="-0.01755"
                           yFract="-0.00207938"
                           z3="8.39056"
                           zFract="0.37761296"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32039"
                           xFract="0.74886137"
                           y3="4.23481"
                           yFract="0.50175474"
                           z3="8.40185"
                           zFract="0.37812106"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.13038"
                           xFract="0.25241469"
                           y3="4.21656"
                           yFract="0.49959242"
                           z3="4.21023"
                           zFract="0.1894793"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.10925"
                           xFract="0.24991114"
                           y3="0.00243"
                           yFract="0.00028791"
                           z3="4.21785"
                           zFract="0.18982223"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.01116"
                           xFract="0.00132227"
                           y3="6.32865"
                           yFract="0.74984005"
                           z3="4.20911"
                           zFract="0.18942889"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22603"
                           xFract="0.50071445"
                           y3="4.20908"
                           yFract="0.49870616"
                           z3="6.33386"
                           zFract="0.28505221"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32033"
                           xFract="0.74885427"
                           y3="2.12041"
                           yFract="0.25123341"
                           z3="6.33748"
                           zFract="0.28521512"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.11843"
                           xFract="0.25099882"
                           y3="2.10395"
                           yFract="0.24928318"
                           z3="6.32191"
                           zFract="0.2845144"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21452"
                           xFract="0.49935071"
                           y3="2.11745"
                           yFract="0.2508827"
                           z3="4.21279"
                           zFract="0.18959451"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3319"
                           xFract="0.75022512"
                           y3="0.00698"
                           yFract="0.00082701"
                           z3="4.24246"
                           zFract="0.19092979"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.21121"
                           xFract="0.49895853"
                           y3="0.01065"
                           yFract="0.00126185"
                           z3="6.34566"
                           zFract="0.28558326"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2071"
                           xFract="0.49847156"
                           y3="6.3253"
                           yFract="0.74944313"
                           z3="4.20599"
                           zFract="0.18928848"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00244"
                           xFract="-0.0002891"
                           y3="2.10809"
                           yFract="0.2497737"
                           z3="8.45111"
                           zFract="0.38033798"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1146"
                           xFract="0.25054502"
                           y3="4.2356"
                           yFract="0.50184834"
                           z3="8.44389"
                           zFract="0.38001305"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32869"
                           xFract="0.74984479"
                           y3="6.3218"
                           yFract="0.74902844"
                           z3="6.34715"
                           zFract="0.28565032"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.22239"
                           xFract="0.50028318"
                           y3="2.11815"
                           yFract="0.25096564"
                           z3="8.43673"
                           zFract="0.37969082"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.00549"
                           xFract="0.00065047"
                           y3="2.10815"
                           yFract="0.24978081"
                           z3="6.24121"
                           zFract="0.28088254"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.07421"
                           xFract="0.24575948"
                           y3="-0.04726"
                           yFract="-0.00559953"
                           z3="6.38287"
                           zFract="0.28725788"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="-0.00807"
                           xFract="-0.00095616"
                           y3="0.06087"
                           yFract="0.00721209"
                           z3="4.24251"
                           zFract="0.19093204"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00351"
                           xFract="0.00041588"
                           y3="-0.00815"
                           yFract="-0.00096564"
                           z3="8.46974"
                           zFract="0.38117642"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.05102"
                           xFract="0.24301185"
                           y3="2.17111"
                           yFract="0.25724052"
                           z3="4.19255"
                           zFract="0.18868362"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10722"
                           xFract="0.24967062"
                           y3="2.08556"
                           yFract="0.24710427"
                           z3="8.48647"
                           zFract="0.38192934"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.21358"
                           xFract="0.49923934"
                           y3="2.07993"
                           yFract="0.2464372"
                           z3="6.29136"
                           zFract="0.28313951"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.36142"
                           xFract="0.75372275"
                           y3="-0.00846"
                           yFract="-0.00100237"
                           z3="6.3438"
                           zFract="0.28549955"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.22587"
                           xFract="0.5006955"
                           y3="-0.0048"
                           yFract="-0.00056872"
                           z3="4.17275"
                           zFract="0.18779253"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21633"
                           xFract="0.49956517"
                           y3="-0.01166"
                           yFract="-0.00138152"
                           z3="8.49863"
                           zFract="0.3824766"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3888"
                           xFract="0.75696682"
                           y3="2.13678"
                           yFract="0.25317299"
                           z3="4.21581"
                           zFract="0.18973042"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33312"
                           xFract="0.75036967"
                           y3="2.11134"
                           yFract="0.25015877"
                           z3="8.50942"
                           zFract="0.3829622"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.05421"
                           xFract="0.00642299"
                           y3="6.33547"
                           yFract="0.7506481"
                           z3="6.35161"
                           zFract="0.28585104"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.0639"
                           xFract="0.24453791"
                           y3="4.26662"
                           yFract="0.5055237"
                           z3="6.26765"
                           zFract="0.28207246"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.00659"
                           xFract="0.00078081"
                           y3="4.16221"
                           yFract="0.49315284"
                           z3="4.2241"
                           zFract="0.19010351"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0231"
                           xFract="-0.00273697"
                           y3="4.22623"
                           yFract="0.50073815"
                           z3="8.45256"
                           zFract="0.38040324"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.11288"
                           xFract="0.25034123"
                           y3="6.26422"
                           yFract="0.74220616"
                           z3="4.27124"
                           zFract="0.19222502"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11274"
                           xFract="0.25032464"
                           y3="6.34863"
                           yFract="0.75220735"
                           z3="8.43213"
                           zFract="0.3794838"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.16657"
                           xFract="0.49366943"
                           y3="6.36278"
                           yFract="0.75388389"
                           z3="6.36877"
                           zFract="0.28662331"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.37827"
                           xFract="0.75571919"
                           y3="4.22899"
                           yFract="0.50106517"
                           z3="6.32114"
                           zFract="0.28447975"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.22292"
                           xFract="0.50034597"
                           y3="4.22297"
                           yFract="0.5003519"
                           z3="4.2194"
                           zFract="0.18989199"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23666"
                           xFract="0.50197393"
                           y3="4.23771"
                           yFract="0.50209834"
                           z3="8.48651"
                           zFract="0.38193114"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.32656"
                           xFract="0.74959242"
                           y3="6.31053"
                           yFract="0.74769313"
                           z3="4.19199"
                           zFract="0.18865842"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32651"
                           xFract="0.74958649"
                           y3="6.3297"
                           yFract="0.74996445"
                           z3="8.49215"
                           zFract="0.38218497"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a66" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.7">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.00986"
                           xFract="0.00116825"
                           y3="0.00074"
                           yFract="0.00008768"
                           z3="6.35027"
                           zFract="0.28579073"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.22756"
                           xFract="0.50089573"
                           y3="6.32167"
                           yFract="0.74901303"
                           z3="8.40804"
                           zFract="0.37839964"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10491"
                           xFract="0.24939692"
                           y3="6.32419"
                           yFract="0.74931161"
                           z3="6.35007"
                           zFract="0.28578173"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33294"
                           xFract="0.75034834"
                           y3="4.21384"
                           yFract="0.49927014"
                           z3="4.21876"
                           zFract="0.18986319"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00758"
                           xFract="0.0008981"
                           y3="2.12079"
                           yFract="0.25127844"
                           z3="4.2214"
                           zFract="0.189982"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.00596"
                           xFract="-0.00070616"
                           y3="6.3277"
                           yFract="0.74972749"
                           z3="8.40871"
                           zFract="0.37842979"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.00185"
                           xFract="0.00021919"
                           y3="4.21702"
                           yFract="0.49964692"
                           z3="6.31632"
                           zFract="0.28426283"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33484"
                           xFract="0.75057346"
                           y3="-0.01537"
                           yFract="-0.00182109"
                           z3="8.40159"
                           zFract="0.37810936"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10535"
                           xFract="0.24944905"
                           y3="-0.0192"
                           yFract="-0.00227488"
                           z3="8.40519"
                           zFract="0.37827138"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32048"
                           xFract="0.74887204"
                           y3="4.23562"
                           yFract="0.50185071"
                           z3="8.40347"
                           zFract="0.37819397"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.13043"
                           xFract="0.25242062"
                           y3="4.2151"
                           yFract="0.49941943"
                           z3="4.20543"
                           zFract="0.18926328"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.10839"
                           xFract="0.24980924"
                           y3="0.00248"
                           yFract="0.00029384"
                           z3="4.22472"
                           zFract="0.19013141"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.01502"
                           xFract="0.00177962"
                           y3="6.32586"
                           yFract="0.74950948"
                           z3="4.21064"
                           zFract="0.18949775"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22214"
                           xFract="0.50025355"
                           y3="4.20626"
                           yFract="0.49837204"
                           z3="6.33549"
                           zFract="0.28512556"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32062"
                           xFract="0.74888863"
                           y3="2.12356"
                           yFract="0.25160664"
                           z3="6.3467"
                           zFract="0.28563006"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.11416"
                           xFract="0.25049289"
                           y3="2.11009"
                           yFract="0.25001066"
                           z3="6.32118"
                           zFract="0.28448155"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21405"
                           xFract="0.49929502"
                           y3="2.11946"
                           yFract="0.25112085"
                           z3="4.20352"
                           zFract="0.18917732"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.33175"
                           xFract="0.75020735"
                           y3="0.00926"
                           yFract="0.00109716"
                           z3="4.25134"
                           zFract="0.19132943"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.20866"
                           xFract="0.4986564"
                           y3="0.0119"
                           yFract="0.00140995"
                           z3="6.35567"
                           zFract="0.28603375"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20451"
                           xFract="0.49816469"
                           y3="6.32423"
                           yFract="0.74931635"
                           z3="4.20994"
                           zFract="0.18946625"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.0046"
                           xFract="-0.00054502"
                           y3="2.10692"
                           yFract="0.24963507"
                           z3="8.45892"
                           zFract="0.38068947"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.11291"
                           xFract="0.25034479"
                           y3="4.23708"
                           yFract="0.5020237"
                           z3="8.43697"
                           zFract="0.37970162"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32874"
                           xFract="0.74985071"
                           y3="6.31931"
                           yFract="0.74873341"
                           z3="6.3493"
                           zFract="0.28574707"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.22396"
                           xFract="0.50046919"
                           y3="2.11558"
                           yFract="0.25066114"
                           z3="8.4464"
                           zFract="0.38012601"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.01227"
                           xFract="0.00145379"
                           y3="2.10493"
                           yFract="0.24939929"
                           z3="6.2354"
                           zFract="0.28062106"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.0701"
                           xFract="0.24527251"
                           y3="-0.06998"
                           yFract="-0.00829147"
                           z3="6.36195"
                           zFract="0.28631638"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="-0.00644"
                           xFract="-0.00076303"
                           y3="0.0919"
                           yFract="0.01088863"
                           z3="4.24815"
                           zFract="0.19118587"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00138"
                           xFract="0.00016351"
                           y3="-0.00781"
                           yFract="-0.00092536"
                           z3="8.47399"
                           zFract="0.38136769"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.02214"
                           xFract="0.23959005"
                           y3="2.1722"
                           yFract="0.25736967"
                           z3="4.18283"
                           zFract="0.18824617"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10487"
                           xFract="0.24939218"
                           y3="2.09155"
                           yFract="0.24781398"
                           z3="8.49365"
                           zFract="0.38225248"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.20793"
                           xFract="0.49856991"
                           y3="2.0654"
                           yFract="0.24471564"
                           z3="6.2791"
                           zFract="0.28258776"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3655"
                           xFract="0.75420616"
                           y3="-0.02093"
                           yFract="-0.00247986"
                           z3="6.34244"
                           zFract="0.28543834"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.22795"
                           xFract="0.50094194"
                           y3="-0.00463"
                           yFract="-0.00054858"
                           z3="4.16148"
                           zFract="0.18728533"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21838"
                           xFract="0.49980806"
                           y3="-0.01188"
                           yFract="-0.00140758"
                           z3="8.50635"
                           zFract="0.38282403"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.42325"
                           xFract="0.76104858"
                           y3="2.14142"
                           yFract="0.25372275"
                           z3="4.21671"
                           zFract="0.18977093"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3342"
                           xFract="0.75049763"
                           y3="2.11239"
                           yFract="0.25028318"
                           z3="8.52469"
                           zFract="0.38364941"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.06156"
                           xFract="0.00729384"
                           y3="6.33921"
                           yFract="0.75109123"
                           z3="6.3538"
                           zFract="0.28594959"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.06068"
                           xFract="0.2441564"
                           y3="4.28704"
                           yFract="0.50794313"
                           z3="6.27486"
                           zFract="0.28239694"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.00076"
                           xFract="0.00009005"
                           y3="4.13458"
                           yFract="0.48987915"
                           z3="4.21584"
                           zFract="0.18973177"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.02003"
                           xFract="-0.00237322"
                           y3="4.22284"
                           yFract="0.50033649"
                           z3="8.44748"
                           zFract="0.38017462"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.10774"
                           xFract="0.24973223"
                           y3="6.25959"
                           yFract="0.74165758"
                           z3="4.28198"
                           zFract="0.19270837"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1104"
                           xFract="0.25004739"
                           y3="6.34158"
                           yFract="0.75137204"
                           z3="8.42761"
                           zFract="0.37928038"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.15764"
                           xFract="0.49261137"
                           y3="6.37937"
                           yFract="0.75584953"
                           z3="6.36925"
                           zFract="0.28664491"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.38667"
                           xFract="0.75671445"
                           y3="4.24364"
                           yFract="0.50280095"
                           z3="6.32072"
                           zFract="0.28446085"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.23053"
                           xFract="0.50124763"
                           y3="4.22048"
                           yFract="0.50005687"
                           z3="4.22332"
                           zFract="0.19006841"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23204"
                           xFract="0.50142654"
                           y3="4.23676"
                           yFract="0.50198578"
                           z3="8.49298"
                           zFract="0.38222232"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.33037"
                           xFract="0.75004384"
                           y3="6.30799"
                           yFract="0.74739218"
                           z3="4.19697"
                           zFract="0.18888254"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32764"
                           xFract="0.74972038"
                           y3="6.32884"
                           yFract="0.74986256"
                           z3="8.50262"
                           zFract="0.38265617"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a50" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.8">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.01145"
                           xFract="0.00135664"
                           y3="0.00212"
                           yFract="0.00025118"
                           z3="6.36302"
                           zFract="0.28636454"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23342"
                           xFract="0.50159005"
                           y3="6.32668"
                           yFract="0.74960664"
                           z3="8.4147"
                           zFract="0.37869937"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.09771"
                           xFract="0.24854384"
                           y3="6.30841"
                           yFract="0.74744194"
                           z3="6.35882"
                           zFract="0.28617552"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34095"
                           xFract="0.75129739"
                           y3="4.21165"
                           yFract="0.49901066"
                           z3="4.2127"
                           zFract="0.18959046"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00487"
                           xFract="0.00057701"
                           y3="2.14096"
                           yFract="0.25366825"
                           z3="4.18623"
                           zFract="0.18839919"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.0113"
                           xFract="-0.00133886"
                           y3="6.32555"
                           yFract="0.74947275"
                           z3="8.40557"
                           zFract="0.37828848"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.01372"
                           xFract="0.00162559"
                           y3="4.21518"
                           yFract="0.49942891"
                           z3="6.30893"
                           zFract="0.28393024"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33447"
                           xFract="0.75052962"
                           y3="-0.01656"
                           yFract="-0.00196209"
                           z3="8.4105"
                           zFract="0.37851035"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10593"
                           xFract="0.24951777"
                           y3="-0.02145"
                           yFract="-0.00254147"
                           z3="8.42522"
                           zFract="0.37917282"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3206"
                           xFract="0.74888626"
                           y3="4.23673"
                           yFract="0.50198223"
                           z3="8.4057"
                           zFract="0.37829433"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1305"
                           xFract="0.25242891"
                           y3="4.2131"
                           yFract="0.49918246"
                           z3="4.19887"
                           zFract="0.18896805"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.10721"
                           xFract="0.24966943"
                           y3="0.00255"
                           yFract="0.00030213"
                           z3="4.23413"
                           zFract="0.19055491"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.0203"
                           xFract="0.00240521"
                           y3="6.32203"
                           yFract="0.74905569"
                           z3="4.21273"
                           zFract="0.18959181"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21682"
                           xFract="0.49962322"
                           y3="4.20241"
                           yFract="0.49791588"
                           z3="6.33771"
                           zFract="0.28522547"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32102"
                           xFract="0.74893602"
                           y3="2.12786"
                           yFract="0.25211611"
                           z3="6.35931"
                           zFract="0.28619757"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.10832"
                           xFract="0.24980095"
                           y3="2.1185"
                           yFract="0.25100711"
                           z3="6.32018"
                           zFract="0.28443654"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2134"
                           xFract="0.49921801"
                           y3="2.12222"
                           yFract="0.25144787"
                           z3="4.19083"
                           zFract="0.18860621"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.33154"
                           xFract="0.75018246"
                           y3="0.01237"
                           yFract="0.00146564"
                           z3="4.26349"
                           zFract="0.19187624"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.20518"
                           xFract="0.49824408"
                           y3="0.0136"
                           yFract="0.00161137"
                           z3="6.36935"
                           zFract="0.28664941"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20095"
                           xFract="0.49774289"
                           y3="6.32276"
                           yFract="0.74914218"
                           z3="4.21535"
                           zFract="0.18970972"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00755"
                           xFract="-0.00089455"
                           y3="2.10531"
                           yFract="0.24944431"
                           z3="8.46961"
                           zFract="0.38117057"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1106"
                           xFract="0.25007109"
                           y3="4.2391"
                           yFract="0.50226303"
                           z3="8.4275"
                           zFract="0.37927543"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32882"
                           xFract="0.74986019"
                           y3="6.3159"
                           yFract="0.74832938"
                           z3="6.35224"
                           zFract="0.28587939"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.22612"
                           xFract="0.50072512"
                           y3="2.11208"
                           yFract="0.25024645"
                           z3="8.45963"
                           zFract="0.38072142"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.02154"
                           xFract="0.00255213"
                           y3="2.10052"
                           yFract="0.24887678"
                           z3="6.22744"
                           zFract="0.28026283"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06448"
                           xFract="0.24460664"
                           y3="-0.10108"
                           yFract="-0.0119763"
                           z3="6.33334"
                           zFract="0.2850288"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="-0.0042"
                           xFract="-0.00049763"
                           y3="0.13436"
                           yFract="0.01591943"
                           z3="4.25587"
                           zFract="0.1915333"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00153"
                           xFract="-0.00018128"
                           y3="-0.00734"
                           yFract="-0.00086967"
                           z3="8.4798"
                           zFract="0.38162916"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.98262"
                           xFract="0.23490758"
                           y3="2.17369"
                           yFract="0.25754621"
                           z3="4.16954"
                           zFract="0.18764806"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10167"
                           xFract="0.24901303"
                           y3="2.09975"
                           yFract="0.24878555"
                           z3="8.50347"
                           zFract="0.38269442"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2002"
                           xFract="0.49765403"
                           y3="2.04552"
                           yFract="0.24236019"
                           z3="6.26231"
                           zFract="0.28183213"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.37107"
                           xFract="0.75486611"
                           y3="-0.03799"
                           yFract="-0.00450118"
                           z3="6.34059"
                           zFract="0.28535509"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.23079"
                           xFract="0.50127844"
                           y3="-0.00441"
                           yFract="-0.00052251"
                           z3="4.14605"
                           zFract="0.18659091"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22118"
                           xFract="0.50013981"
                           y3="-0.0122"
                           yFract="-0.0014455"
                           z3="8.51691"
                           zFract="0.38329928"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.47039"
                           xFract="0.76663389"
                           y3="2.14777"
                           yFract="0.25447512"
                           z3="4.21795"
                           zFract="0.18982673"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33567"
                           xFract="0.7506718"
                           y3="2.11382"
                           yFract="0.25045261"
                           z3="8.54559"
                           zFract="0.38459001"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.07161"
                           xFract="0.0084846"
                           y3="6.34433"
                           yFract="0.75169787"
                           z3="6.35681"
                           zFract="0.28608506"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.05629"
                           xFract="0.24363626"
                           y3="4.31499"
                           yFract="0.51125474"
                           z3="6.28474"
                           zFract="0.28284158"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="-0.00722"
                           xFract="-0.00085545"
                           y3="4.09677"
                           yFract="0.48539929"
                           z3="4.20453"
                           zFract="0.18922277"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01581"
                           xFract="-0.00187322"
                           y3="4.2182"
                           yFract="0.49978673"
                           z3="8.44053"
                           zFract="0.37986184"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1007"
                           xFract="0.2488981"
                           y3="6.25326"
                           yFract="0.74090758"
                           z3="4.29668"
                           zFract="0.19336994"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10721"
                           xFract="0.24966943"
                           y3="6.33194"
                           yFract="0.75022986"
                           z3="8.42142"
                           zFract="0.3790018"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.14542"
                           xFract="0.49116351"
                           y3="6.40206"
                           yFract="0.75853791"
                           z3="6.36992"
                           zFract="0.28667507"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.39817"
                           xFract="0.75807701"
                           y3="4.26369"
                           yFract="0.50517654"
                           z3="6.32015"
                           zFract="0.28443519"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.24095"
                           xFract="0.50248223"
                           y3="4.21708"
                           yFract="0.49965403"
                           z3="4.2287"
                           zFract="0.19031053"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22572"
                           xFract="0.50067773"
                           y3="4.23546"
                           yFract="0.50183175"
                           z3="8.50184"
                           zFract="0.38262106"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3356"
                           xFract="0.75066351"
                           y3="6.30452"
                           yFract="0.74698104"
                           z3="4.20379"
                           zFract="0.18918947"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32917"
                           xFract="0.74990166"
                           y3="6.32767"
                           yFract="0.74972393"
                           z3="8.51694"
                           zFract="0.38330063"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.9">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.01234"
                           xFract="0.00146209"
                           y3="0.01139"
                           yFract="0.00134953"
                           z3="6.3580"
                           zFract="0.28613861"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23888"
                           xFract="0.50223697"
                           y3="6.32584"
                           yFract="0.74950711"
                           z3="8.42496"
                           zFract="0.37916112"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.09772"
                           xFract="0.24854502"
                           y3="6.31737"
                           yFract="0.74850355"
                           z3="6.36003"
                           zFract="0.28622997"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3467"
                           xFract="0.75197867"
                           y3="4.21275"
                           yFract="0.499141"
                           z3="4.21346"
                           zFract="0.18962466"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00561"
                           xFract="0.00066469"
                           y3="2.12581"
                           yFract="0.25187322"
                           z3="4.17334"
                           zFract="0.18781908"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01818"
                           xFract="-0.00215403"
                           y3="6.31938"
                           yFract="0.74874171"
                           z3="8.41202"
                           zFract="0.37857876"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.01176"
                           xFract="0.00139336"
                           y3="4.20294"
                           yFract="0.49797867"
                           z3="6.30629"
                           zFract="0.28381143"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33691"
                           xFract="0.75081872"
                           y3="-0.0147"
                           yFract="-0.00174171"
                           z3="8.42707"
                           zFract="0.37925608"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10273"
                           xFract="0.24913863"
                           y3="-0.01917"
                           yFract="-0.00227133"
                           z3="8.43186"
                           zFract="0.37947165"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32548"
                           xFract="0.74946445"
                           y3="4.23384"
                           yFract="0.50163981"
                           z3="8.4145"
                           zFract="0.37869037"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.12859"
                           xFract="0.25220261"
                           y3="4.20754"
                           yFract="0.4985237"
                           z3="4.19799"
                           zFract="0.18892844"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.10446"
                           xFract="0.2493436"
                           y3="0.00654"
                           yFract="0.00077488"
                           z3="4.23975"
                           zFract="0.19080783"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.01809"
                           xFract="0.00214336"
                           y3="6.32729"
                           yFract="0.74967891"
                           z3="4.21605"
                           zFract="0.18974122"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21912"
                           xFract="0.49989573"
                           y3="4.19697"
                           yFract="0.49727133"
                           z3="6.34355"
                           zFract="0.2854883"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.33127"
                           xFract="0.75015047"
                           y3="2.13094"
                           yFract="0.25248104"
                           z3="6.36207"
                           zFract="0.28632178"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.0965"
                           xFract="0.24840047"
                           y3="2.11789"
                           yFract="0.25093483"
                           z3="6.31479"
                           zFract="0.28419397"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21569"
                           xFract="0.49948934"
                           y3="2.1165"
                           yFract="0.25077014"
                           z3="4.18392"
                           zFract="0.18829523"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3385"
                           xFract="0.75100711"
                           y3="0.01837"
                           yFract="0.00217654"
                           z3="4.26939"
                           zFract="0.19214176"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.20242"
                           xFract="0.49791706"
                           y3="0.0163"
                           yFract="0.00193128"
                           z3="6.37808"
                           zFract="0.2870423"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20172"
                           xFract="0.49783412"
                           y3="6.32366"
                           yFract="0.74924882"
                           z3="4.22707"
                           zFract="0.19023717"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00791"
                           xFract="-0.0009372"
                           y3="2.10876"
                           yFract="0.24985308"
                           z3="8.47112"
                           zFract="0.38123852"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1062"
                           xFract="0.24954976"
                           y3="4.23015"
                           yFract="0.50120261"
                           z3="8.42949"
                           zFract="0.37936499"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32786"
                           xFract="0.74974645"
                           y3="6.31563"
                           yFract="0.74829739"
                           z3="6.35374"
                           zFract="0.28594689"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2247"
                           xFract="0.50055687"
                           y3="2.11315"
                           yFract="0.25037322"
                           z3="8.47345"
                           zFract="0.38134338"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.03716"
                           xFract="0.00440284"
                           y3="2.10253"
                           yFract="0.24911493"
                           z3="6.26567"
                           zFract="0.28198335"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06656"
                           xFract="0.24485308"
                           y3="-0.13425"
                           yFract="-0.0159064"
                           z3="6.32313"
                           zFract="0.28456931"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.00065"
                           xFract="0.00007701"
                           y3="0.18423"
                           yFract="0.0218282"
                           z3="4.25021"
                           zFract="0.19127858"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00185"
                           xFract="0.00021919"
                           y3="-0.00555"
                           yFract="-0.00065758"
                           z3="8.48606"
                           zFract="0.38191089"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.94127"
                           xFract="0.23000829"
                           y3="2.17815"
                           yFract="0.25807464"
                           z3="4.15994"
                           zFract="0.18721602"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10832"
                           xFract="0.24980095"
                           y3="2.09877"
                           yFract="0.24866943"
                           z3="8.50453"
                           zFract="0.38274212"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.18559"
                           xFract="0.49592299"
                           y3="2.03317"
                           yFract="0.24089692"
                           z3="6.25179"
                           zFract="0.28135869"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.36723"
                           xFract="0.75441114"
                           y3="-0.0518"
                           yFract="-0.00613744"
                           z3="6.3519"
                           zFract="0.28586409"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.23037"
                           xFract="0.50122867"
                           y3="0.00885"
                           yFract="0.00104858"
                           z3="4.13512"
                           zFract="0.18609901"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21799"
                           xFract="0.49976185"
                           y3="-0.0080"
                           yFract="-0.00094787"
                           z3="8.52426"
                           zFract="0.38363006"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.51343"
                           xFract="0.77173341"
                           y3="2.14774"
                           yFract="0.25447156"
                           z3="4.21993"
                           zFract="0.18991584"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32748"
                           xFract="0.74970142"
                           y3="2.11314"
                           yFract="0.25037204"
                           z3="8.55433"
                           zFract="0.38498335"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.06742"
                           xFract="0.00798815"
                           y3="6.34291"
                           yFract="0.75152962"
                           z3="6.35013"
                           zFract="0.28578443"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.07023"
                           xFract="0.24528791"
                           y3="4.33017"
                           yFract="0.51305332"
                           z3="6.28871"
                           zFract="0.28302025"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="-0.00313"
                           xFract="-0.00037085"
                           y3="4.08433"
                           yFract="0.48392536"
                           z3="4.19026"
                           zFract="0.18858056"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0129"
                           xFract="-0.00152844"
                           y3="4.21517"
                           yFract="0.49942773"
                           z3="8.43146"
                           zFract="0.37945365"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.08283"
                           xFract="0.24678081"
                           y3="6.24546"
                           yFract="0.73998341"
                           z3="4.29533"
                           zFract="0.19330918"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10508"
                           xFract="0.24941706"
                           y3="6.33219"
                           yFract="0.75025948"
                           z3="8.42004"
                           zFract="0.37893969"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.14358"
                           xFract="0.4909455"
                           y3="6.41349"
                           yFract="0.75989218"
                           z3="6.36474"
                           zFract="0.28644194"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.39303"
                           xFract="0.75746801"
                           y3="4.27626"
                           yFract="0.50666588"
                           z3="6.32445"
                           zFract="0.28462871"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2425"
                           xFract="0.50266588"
                           y3="4.20448"
                           yFract="0.49816114"
                           z3="4.23908"
                           zFract="0.19077768"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22394"
                           xFract="0.50046682"
                           y3="4.23091"
                           yFract="0.50129265"
                           z3="8.49435"
                           zFract="0.38228398"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.35249"
                           xFract="0.75266469"
                           y3="6.30561"
                           yFract="0.74711019"
                           z3="4.20715"
                           zFract="0.18934068"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32836"
                           xFract="0.74980569"
                           y3="6.3274"
                           yFract="0.74969194"
                           z3="8.52739"
                           zFract="0.38377093"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.10">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.01249"
                           xFract="0.00147986"
                           y3="0.01303"
                           yFract="0.00154384"
                           z3="6.35712"
                           zFract="0.28609901"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23984"
                           xFract="0.50235071"
                           y3="6.32569"
                           yFract="0.74948934"
                           z3="8.42676"
                           zFract="0.37924212"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.09772"
                           xFract="0.24854502"
                           y3="6.31895"
                           yFract="0.74869076"
                           z3="6.36024"
                           zFract="0.28623942"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34772"
                           xFract="0.75209953"
                           y3="4.21294"
                           yFract="0.49916351"
                           z3="4.21359"
                           zFract="0.18963051"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00574"
                           xFract="0.00068009"
                           y3="2.12314"
                           yFract="0.25155687"
                           z3="4.17107"
                           zFract="0.18771692"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01939"
                           xFract="-0.00229739"
                           y3="6.3183"
                           yFract="0.74861374"
                           z3="8.41316"
                           zFract="0.37863006"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.01142"
                           xFract="0.00135308"
                           y3="4.20078"
                           yFract="0.49772275"
                           z3="6.30583"
                           zFract="0.28379073"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33734"
                           xFract="0.75086967"
                           y3="-0.01438"
                           yFract="-0.00170379"
                           z3="8.42998"
                           zFract="0.37938704"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10216"
                           xFract="0.24907109"
                           y3="-0.01877"
                           yFract="-0.00222393"
                           z3="8.43303"
                           zFract="0.3795243"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32634"
                           xFract="0.74956635"
                           y3="4.23333"
                           yFract="0.50157938"
                           z3="8.41605"
                           zFract="0.37876013"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.12826"
                           xFract="0.25216351"
                           y3="4.20656"
                           yFract="0.49840758"
                           z3="4.19784"
                           zFract="0.18892169"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.10398"
                           xFract="0.24928673"
                           y3="0.00724"
                           yFract="0.00085782"
                           z3="4.24073"
                           zFract="0.19085194"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.0177"
                           xFract="0.00209716"
                           y3="6.32821"
                           yFract="0.74978791"
                           z3="4.21663"
                           zFract="0.18976733"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21952"
                           xFract="0.49994313"
                           y3="4.19601"
                           yFract="0.49715758"
                           z3="6.34458"
                           zFract="0.28553465"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.33308"
                           xFract="0.75036493"
                           y3="2.13148"
                           yFract="0.25254502"
                           z3="6.36256"
                           zFract="0.28634383"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.09442"
                           xFract="0.24815403"
                           y3="2.11779"
                           yFract="0.25092299"
                           z3="6.31384"
                           zFract="0.28415122"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2161"
                           xFract="0.49953791"
                           y3="2.11549"
                           yFract="0.25065047"
                           z3="4.1827"
                           zFract="0.18824032"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.33972"
                           xFract="0.75115166"
                           y3="0.01942"
                           yFract="0.00230095"
                           z3="4.27043"
                           zFract="0.19218857"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.20193"
                           xFract="0.497859"
                           y3="0.01677"
                           yFract="0.00198697"
                           z3="6.37962"
                           zFract="0.28711161"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20186"
                           xFract="0.49785071"
                           y3="6.32382"
                           yFract="0.74926777"
                           z3="4.22914"
                           zFract="0.19033033"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00797"
                           xFract="-0.00094431"
                           y3="2.10937"
                           yFract="0.24992536"
                           z3="8.47139"
                           zFract="0.38125068"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.10543"
                           xFract="0.24945853"
                           y3="4.22858"
                           yFract="0.50101659"
                           z3="8.42984"
                           zFract="0.37938074"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32769"
                           xFract="0.7497263"
                           y3="6.31558"
                           yFract="0.74829147"
                           z3="6.3540"
                           zFract="0.2859586"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.22445"
                           xFract="0.50052725"
                           y3="2.11334"
                           yFract="0.25039573"
                           z3="8.47589"
                           zFract="0.3814532"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.03991"
                           xFract="0.00472867"
                           y3="2.10288"
                           yFract="0.2491564"
                           z3="6.2724"
                           zFract="0.28228623"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06693"
                           xFract="0.24489692"
                           y3="-0.14009"
                           yFract="-0.01659834"
                           z3="6.32133"
                           zFract="0.2844883"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0015"
                           xFract="0.00017773"
                           y3="0.19302"
                           yFract="0.02286967"
                           z3="4.24921"
                           zFract="0.19123357"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00245"
                           xFract="0.00029028"
                           y3="-0.00524"
                           yFract="-0.00062085"
                           z3="8.48716"
                           zFract="0.3819604"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.93398"
                           xFract="0.22914455"
                           y3="2.17894"
                           yFract="0.25816825"
                           z3="4.15825"
                           zFract="0.18713996"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10949"
                           xFract="0.24993957"
                           y3="2.0986"
                           yFract="0.24864929"
                           z3="8.50471"
                           zFract="0.38275023"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.18302"
                           xFract="0.49561848"
                           y3="2.0310"
                           yFract="0.24063981"
                           z3="6.24993"
                           zFract="0.28127498"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.36656"
                           xFract="0.75433175"
                           y3="-0.05423"
                           yFract="-0.00642536"
                           z3="6.35389"
                           zFract="0.28595365"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2303"
                           xFract="0.50122038"
                           y3="0.01118"
                           yFract="0.00132464"
                           z3="4.13319"
                           zFract="0.18601215"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21743"
                           xFract="0.4996955"
                           y3="-0.00726"
                           yFract="-0.00086019"
                           z3="8.52555"
                           zFract="0.38368812"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.5210"
                           xFract="0.77263033"
                           y3="2.14773"
                           yFract="0.25447038"
                           z3="4.22028"
                           zFract="0.18993159"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32603"
                           xFract="0.74952962"
                           y3="2.11302"
                           yFract="0.25035782"
                           z3="8.55587"
                           zFract="0.38505266"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.06668"
                           xFract="0.00790047"
                           y3="6.34266"
                           yFract="0.7515"
                           z3="6.34896"
                           zFract="0.28573177"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.07269"
                           xFract="0.24557938"
                           y3="4.33285"
                           yFract="0.51337085"
                           z3="6.28942"
                           zFract="0.28305221"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="-0.00241"
                           xFract="-0.00028555"
                           y3="4.08214"
                           yFract="0.48366588"
                           z3="4.18775"
                           zFract="0.1884676"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01238"
                           xFract="-0.00146682"
                           y3="4.21463"
                           yFract="0.49936374"
                           z3="8.42986"
                           zFract="0.37938164"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.07968"
                           xFract="0.24640758"
                           y3="6.24409"
                           yFract="0.73982109"
                           z3="4.29509"
                           zFract="0.19329838"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1047"
                           xFract="0.24937204"
                           y3="6.33223"
                           yFract="0.75026422"
                           z3="8.41979"
                           zFract="0.37892844"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.14326"
                           xFract="0.49090758"
                           y3="6.4155"
                           yFract="0.76013033"
                           z3="6.36383"
                           zFract="0.28640099"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.39213"
                           xFract="0.75736137"
                           y3="4.27848"
                           yFract="0.50692891"
                           z3="6.32521"
                           zFract="0.28466292"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.24277"
                           xFract="0.50269787"
                           y3="4.20226"
                           yFract="0.4978981"
                           z3="4.24091"
                           zFract="0.19086004"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22363"
                           xFract="0.50043009"
                           y3="4.23011"
                           yFract="0.50119787"
                           z3="8.49303"
                           zFract="0.38222457"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.35546"
                           xFract="0.75301659"
                           y3="6.30581"
                           yFract="0.74713389"
                           z3="4.20774"
                           zFract="0.18936724"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32821"
                           xFract="0.74978791"
                           y3="6.32735"
                           yFract="0.74968602"
                           z3="8.52923"
                           zFract="0.38385374"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.11">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.01088"
                           xFract="0.0012891"
                           y3="0.01384"
                           yFract="0.00163981"
                           z3="6.35214"
                           zFract="0.28587489"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23753"
                           xFract="0.50207701"
                           y3="6.32213"
                           yFract="0.74906754"
                           z3="8.42632"
                           zFract="0.37922232"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.0997"
                           xFract="0.24877962"
                           y3="6.31879"
                           yFract="0.7486718"
                           z3="6.35572"
                           zFract="0.286036"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34986"
                           xFract="0.75235308"
                           y3="4.21261"
                           yFract="0.49912441"
                           z3="4.21775"
                           zFract="0.18981773"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01255"
                           xFract="0.00148697"
                           y3="2.14422"
                           yFract="0.2540545"
                           z3="4.19282"
                           zFract="0.18869577"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01905"
                           xFract="-0.00225711"
                           y3="6.31829"
                           yFract="0.74861256"
                           z3="8.41507"
                           zFract="0.37871602"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.00824"
                           xFract="0.0009763"
                           y3="4.19722"
                           yFract="0.49730095"
                           z3="6.3024"
                           zFract="0.28363636"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3393"
                           xFract="0.7511019"
                           y3="-0.01215"
                           yFract="-0.00143957"
                           z3="8.43836"
                           zFract="0.37976418"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09909"
                           xFract="0.24870735"
                           y3="-0.01735"
                           yFract="-0.00205569"
                           z3="8.42598"
                           zFract="0.37920702"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3276"
                           xFract="0.74971564"
                           y3="4.23026"
                           yFract="0.50121564"
                           z3="8.42136"
                           zFract="0.3789991"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.12653"
                           xFract="0.25195853"
                           y3="4.20545"
                           yFract="0.49827607"
                           z3="4.20157"
                           zFract="0.18908956"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.10805"
                           xFract="0.24976896"
                           y3="0.00958"
                           yFract="0.00113507"
                           z3="4.23762"
                           zFract="0.19071197"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.01344"
                           xFract="0.00159242"
                           y3="6.33324"
                           yFract="0.75038389"
                           z3="4.21698"
                           zFract="0.18978308"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22519"
                           xFract="0.50061493"
                           y3="4.19035"
                           yFract="0.49648697"
                           z3="6.3501"
                           zFract="0.28578308"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.33493"
                           xFract="0.75058412"
                           y3="2.12917"
                           yFract="0.25227133"
                           z3="6.35937"
                           zFract="0.28620027"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.09847"
                           xFract="0.24863389"
                           y3="2.11175"
                           yFract="0.25020735"
                           z3="6.30931"
                           zFract="0.28394734"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21784"
                           xFract="0.49974408"
                           y3="2.10887"
                           yFract="0.24986611"
                           z3="4.18755"
                           zFract="0.1884586"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.34121"
                           xFract="0.7513282"
                           y3="0.02165"
                           yFract="0.00256517"
                           z3="4.27179"
                           zFract="0.19224977"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.20534"
                           xFract="0.49826303"
                           y3="0.02091"
                           yFract="0.00247749"
                           z3="6.38325"
                           zFract="0.28727498"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20195"
                           xFract="0.49786137"
                           y3="6.32477"
                           yFract="0.74938033"
                           z3="4.23415"
                           zFract="0.19055581"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00717"
                           xFract="-0.00084953"
                           y3="2.10915"
                           yFract="0.24989929"
                           z3="8.46851"
                           zFract="0.38112106"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.10507"
                           xFract="0.24941588"
                           y3="4.22234"
                           yFract="0.50027725"
                           z3="8.43433"
                           zFract="0.37958281"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32722"
                           xFract="0.74967062"
                           y3="6.32024"
                           yFract="0.7488436"
                           z3="6.35811"
                           zFract="0.28614356"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.22189"
                           xFract="0.50022393"
                           y3="2.11465"
                           yFract="0.25055095"
                           z3="8.47941"
                           zFract="0.38161161"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.04886"
                           xFract="0.0057891"
                           y3="2.10768"
                           yFract="0.24972512"
                           z3="6.30537"
                           zFract="0.28377003"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06713"
                           xFract="0.24492062"
                           y3="-0.14875"
                           yFract="-0.01762441"
                           z3="6.33091"
                           zFract="0.28491944"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.00286"
                           xFract="0.00033886"
                           y3="0.19305"
                           yFract="0.02287322"
                           z3="4.24167"
                           zFract="0.19089424"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00577"
                           xFract="0.00068365"
                           y3="-0.00558"
                           yFract="-0.00066114"
                           z3="8.48976"
                           zFract="0.38207741"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.93047"
                           xFract="0.22872867"
                           y3="2.17833"
                           yFract="0.25809597"
                           z3="4.15813"
                           zFract="0.18713456"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11762"
                           xFract="0.25090284"
                           y3="2.09153"
                           yFract="0.24781161"
                           z3="8.50269"
                           zFract="0.38265932"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.16881"
                           xFract="0.49393483"
                           y3="2.03122"
                           yFract="0.24066588"
                           z3="6.24399"
                           zFract="0.28100765"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.36267"
                           xFract="0.75387085"
                           y3="-0.05218"
                           yFract="-0.00618246"
                           z3="6.36333"
                           zFract="0.28637849"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.23094"
                           xFract="0.50129621"
                           y3="0.02185"
                           yFract="0.00258886"
                           z3="4.13115"
                           zFract="0.18592034"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21295"
                           xFract="0.49916469"
                           y3="-0.00627"
                           yFract="-0.00074289"
                           z3="8.53062"
                           zFract="0.38391629"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.52149"
                           xFract="0.77268839"
                           y3="2.14196"
                           yFract="0.25378673"
                           z3="4.22415"
                           zFract="0.19010576"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31936"
                           xFract="0.74873934"
                           y3="2.11325"
                           yFract="0.25038507"
                           z3="8.55428"
                           zFract="0.3849811"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0588"
                           xFract="0.00696682"
                           y3="6.33977"
                           yFract="0.75115758"
                           z3="6.34245"
                           zFract="0.28543879"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.0837"
                           xFract="0.24688389"
                           y3="4.33749"
                           yFract="0.51392062"
                           z3="6.28701"
                           zFract="0.28294374"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.00263"
                           xFract="0.00031161"
                           y3="4.08402"
                           yFract="0.48388863"
                           z3="4.19194"
                           zFract="0.18865617"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01522"
                           xFract="-0.00180332"
                           y3="4.21626"
                           yFract="0.49955687"
                           z3="8.42931"
                           zFract="0.37935689"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.06847"
                           xFract="0.24507938"
                           y3="6.24105"
                           yFract="0.7394609"
                           z3="4.2837"
                           zFract="0.19278578"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10458"
                           xFract="0.24935782"
                           y3="6.33747"
                           yFract="0.75088507"
                           z3="8.42257"
                           zFract="0.37905356"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.14831"
                           xFract="0.49150592"
                           y3="6.41379"
                           yFract="0.75992773"
                           z3="6.36002"
                           zFract="0.28622952"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.38031"
                           xFract="0.7559609"
                           y3="4.27263"
                           yFract="0.50623578"
                           z3="6.33036"
                           zFract="0.28489469"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.23902"
                           xFract="0.50225355"
                           y3="4.19263"
                           yFract="0.49675711"
                           z3="4.24788"
                           zFract="0.19117372"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22801"
                           xFract="0.50094905"
                           y3="4.23045"
                           yFract="0.50123815"
                           z3="8.48197"
                           zFract="0.38172682"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.36713"
                           xFract="0.75439929"
                           y3="6.31251"
                           yFract="0.74792773"
                           z3="4.20182"
                           zFract="0.18910081"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32685"
                           xFract="0.74962678"
                           y3="6.32595"
                           yFract="0.74952014"
                           z3="8.53803"
                           zFract="0.38424977"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.12">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.0105"
                           xFract="0.00124408"
                           y3="0.01404"
                           yFract="0.00166351"
                           z3="6.35097"
                           zFract="0.28582223"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23698"
                           xFract="0.50201185"
                           y3="6.32129"
                           yFract="0.74896801"
                           z3="8.42621"
                           zFract="0.37921737"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10017"
                           xFract="0.24883531"
                           y3="6.31875"
                           yFract="0.74866706"
                           z3="6.35465"
                           zFract="0.28598785"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35036"
                           xFract="0.75241232"
                           y3="4.21254"
                           yFract="0.49911611"
                           z3="4.21874"
                           zFract="0.18986229"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01416"
                           xFract="0.00167773"
                           y3="2.14922"
                           yFract="0.25464692"
                           z3="4.19797"
                           zFract="0.18892754"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01897"
                           xFract="-0.00224763"
                           y3="6.31829"
                           yFract="0.74861256"
                           z3="8.41552"
                           zFract="0.37873627"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.00749"
                           xFract="0.00088744"
                           y3="4.19637"
                           yFract="0.49720024"
                           z3="6.30159"
                           zFract="0.28359991"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33976"
                           xFract="0.7511564"
                           y3="-0.01162"
                           yFract="-0.00137678"
                           z3="8.44034"
                           zFract="0.37985329"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09836"
                           xFract="0.24862085"
                           y3="-0.01702"
                           yFract="-0.00201659"
                           z3="8.42431"
                           zFract="0.37913186"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32789"
                           xFract="0.74975"
                           y3="4.22954"
                           yFract="0.50113033"
                           z3="8.42262"
                           zFract="0.37905581"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.12612"
                           xFract="0.25190995"
                           y3="4.20519"
                           yFract="0.49824526"
                           z3="4.20245"
                           zFract="0.18912916"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.10901"
                           xFract="0.2498827"
                           y3="0.01014"
                           yFract="0.00120142"
                           z3="4.23688"
                           zFract="0.19067867"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.01243"
                           xFract="0.00147275"
                           y3="6.33443"
                           yFract="0.75052488"
                           z3="4.21706"
                           zFract="0.18978668"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22653"
                           xFract="0.5007737"
                           y3="4.1890"
                           yFract="0.49632701"
                           z3="6.35141"
                           zFract="0.28584203"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.33537"
                           xFract="0.75063626"
                           y3="2.12862"
                           yFract="0.25220616"
                           z3="6.35861"
                           zFract="0.28616607"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.09943"
                           xFract="0.24874763"
                           y3="2.11033"
                           yFract="0.2500391"
                           z3="6.30823"
                           zFract="0.28389874"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21826"
                           xFract="0.49979384"
                           y3="2.10731"
                           yFract="0.24968128"
                           z3="4.1887"
                           zFract="0.18851035"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.34157"
                           xFract="0.75137085"
                           y3="0.02218"
                           yFract="0.00262796"
                           z3="4.27211"
                           zFract="0.19226418"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.20615"
                           xFract="0.498359"
                           y3="0.02189"
                           yFract="0.0025936"
                           z3="6.38412"
                           zFract="0.28731413"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20197"
                           xFract="0.49786374"
                           y3="6.3250"
                           yFract="0.74940758"
                           z3="4.23534"
                           zFract="0.19060936"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00698"
                           xFract="-0.00082701"
                           y3="2.1091"
                           yFract="0.24989336"
                           z3="8.46783"
                           zFract="0.38109046"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.10499"
                           xFract="0.2494064"
                           y3="4.22086"
                           yFract="0.5001019"
                           z3="8.43539"
                           zFract="0.37963051"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32711"
                           xFract="0.74965758"
                           y3="6.32134"
                           yFract="0.74897393"
                           z3="6.35908"
                           zFract="0.28618722"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.22128"
                           xFract="0.50015166"
                           y3="2.11496"
                           yFract="0.25058768"
                           z3="8.48024"
                           zFract="0.38164896"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.05098"
                           xFract="0.00604028"
                           y3="2.10882"
                           yFract="0.24986019"
                           z3="6.31318"
                           zFract="0.28412151"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06717"
                           xFract="0.24492536"
                           y3="-0.1508"
                           yFract="-0.0178673"
                           z3="6.33318"
                           zFract="0.2850216"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.00318"
                           xFract="0.00037678"
                           y3="0.19306"
                           yFract="0.02287441"
                           z3="4.23989"
                           zFract="0.19081413"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00656"
                           xFract="0.00077725"
                           y3="-0.00566"
                           yFract="-0.00067062"
                           z3="8.49037"
                           zFract="0.38210486"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.92964"
                           xFract="0.22863033"
                           y3="2.17818"
                           yFract="0.2580782"
                           z3="4.15811"
                           zFract="0.18713366"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11954"
                           xFract="0.25113033"
                           y3="2.08986"
                           yFract="0.24761374"
                           z3="8.50221"
                           zFract="0.38263771"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.16545"
                           xFract="0.49353673"
                           y3="2.03127"
                           yFract="0.2406718"
                           z3="6.24258"
                           zFract="0.28094419"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.36175"
                           xFract="0.75376185"
                           y3="-0.0517"
                           yFract="-0.00612559"
                           z3="6.36556"
                           zFract="0.28647885"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.23109"
                           xFract="0.50131398"
                           y3="0.02438"
                           yFract="0.00288863"
                           z3="4.13067"
                           zFract="0.18589874"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21189"
                           xFract="0.4990391"
                           y3="-0.00603"
                           yFract="-0.00071445"
                           z3="8.53182"
                           zFract="0.3839703"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.52161"
                           xFract="0.77270261"
                           y3="2.1406"
                           yFract="0.25362559"
                           z3="4.22507"
                           zFract="0.19014716"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31778"
                           xFract="0.74855213"
                           y3="2.1133"
                           yFract="0.250391"
                           z3="8.55391"
                           zFract="0.38496445"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.05693"
                           xFract="0.00674526"
                           y3="6.33908"
                           yFract="0.75107583"
                           z3="6.3409"
                           zFract="0.28536904"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.08631"
                           xFract="0.24719313"
                           y3="4.33859"
                           yFract="0.51405095"
                           z3="6.28644"
                           zFract="0.28291809"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.00382"
                           xFract="0.00045261"
                           y3="4.08446"
                           yFract="0.48394076"
                           z3="4.19294"
                           zFract="0.18870117"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01589"
                           xFract="-0.0018827"
                           y3="4.21664"
                           yFract="0.4996019"
                           z3="8.42918"
                           zFract="0.37935104"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.06582"
                           xFract="0.2447654"
                           y3="6.24033"
                           yFract="0.73937559"
                           z3="4.2810"
                           zFract="0.19266427"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10455"
                           xFract="0.24935427"
                           y3="6.33871"
                           yFract="0.75103199"
                           z3="8.42323"
                           zFract="0.37908326"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.14951"
                           xFract="0.4916481"
                           y3="6.41338"
                           yFract="0.75987915"
                           z3="6.35911"
                           zFract="0.28618857"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3775"
                           xFract="0.75562796"
                           y3="4.27124"
                           yFract="0.50607109"
                           z3="6.33158"
                           zFract="0.28494959"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.23813"
                           xFract="0.5021481"
                           y3="4.19035"
                           yFract="0.49648697"
                           z3="4.24953"
                           zFract="0.19124797"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22905"
                           xFract="0.50107227"
                           y3="4.23053"
                           yFract="0.50124763"
                           z3="8.47935"
                           zFract="0.38160891"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3699"
                           xFract="0.75472749"
                           y3="6.31409"
                           yFract="0.74811493"
                           z3="4.20042"
                           zFract="0.1890378"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32652"
                           xFract="0.74958768"
                           y3="6.32562"
                           yFract="0.74948104"
                           z3="8.54011"
                           zFract="0.38434338"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.13">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.01047"
                           xFract="0.00124052"
                           y3="0.01065"
                           yFract="0.00126185"
                           z3="6.34922"
                           zFract="0.28574347"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23328"
                           xFract="0.50157346"
                           y3="6.32172"
                           yFract="0.74901896"
                           z3="8.42296"
                           zFract="0.37907111"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.09912"
                           xFract="0.2487109"
                           y3="6.31404"
                           yFract="0.748109"
                           z3="6.35314"
                           zFract="0.28591989"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34622"
                           xFract="0.7519218"
                           y3="4.21268"
                           yFract="0.4991327"
                           z3="4.2213"
                           zFract="0.1899775"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0074"
                           xFract="0.00087678"
                           y3="2.13287"
                           yFract="0.25270972"
                           z3="4.20448"
                           zFract="0.18922052"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01677"
                           xFract="-0.00198697"
                           y3="6.32019"
                           yFract="0.74883768"
                           z3="8.41413"
                           zFract="0.37867372"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.00708"
                           xFract="0.00083886"
                           y3="4.20158"
                           yFract="0.49781754"
                           z3="6.30601"
                           zFract="0.28379883"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33901"
                           xFract="0.75106754"
                           y3="-0.01082"
                           yFract="-0.00128199"
                           z3="8.44841"
                           zFract="0.38021647"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09771"
                           xFract="0.24854384"
                           y3="-0.01783"
                           yFract="-0.00211256"
                           z3="8.41959"
                           zFract="0.37891944"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32869"
                           xFract="0.74984479"
                           y3="4.22796"
                           yFract="0.50094313"
                           z3="8.42733"
                           zFract="0.37926778"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.13027"
                           xFract="0.25240166"
                           y3="4.20621"
                           yFract="0.49836611"
                           z3="4.20332"
                           zFract="0.18916832"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.11283"
                           xFract="0.25033531"
                           y3="0.01149"
                           yFract="0.00136137"
                           z3="4.23515"
                           zFract="0.19060081"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.01031"
                           xFract="0.00122156"
                           y3="6.34003"
                           yFract="0.75118839"
                           z3="4.21457"
                           zFract="0.18967462"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.23102"
                           xFract="0.50130569"
                           y3="4.18412"
                           yFract="0.49574882"
                           z3="6.35454"
                           zFract="0.2859829"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.33119"
                           xFract="0.750141"
                           y3="2.12445"
                           yFract="0.25171209"
                           z3="6.35846"
                           zFract="0.28615932"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.10706"
                           xFract="0.24965166"
                           y3="2.10385"
                           yFract="0.24927133"
                           z3="6.30759"
                           zFract="0.28386994"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21917"
                           xFract="0.49990166"
                           y3="2.10514"
                           yFract="0.24942417"
                           z3="4.19062"
                           zFract="0.18859676"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.34469"
                           xFract="0.75174052"
                           y3="0.02384"
                           yFract="0.00282464"
                           z3="4.27191"
                           zFract="0.19225518"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.20945"
                           xFract="0.49875"
                           y3="0.0222"
                           yFract="0.00263033"
                           z3="6.39088"
                           zFract="0.28761836"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20099"
                           xFract="0.49774763"
                           y3="6.32332"
                           yFract="0.74920853"
                           z3="4.23585"
                           zFract="0.19063231"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00589"
                           xFract="-0.00069787"
                           y3="2.10717"
                           yFract="0.24966469"
                           z3="8.46767"
                           zFract="0.38108326"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.10418"
                           xFract="0.24931043"
                           y3="4.21861"
                           yFract="0.49983531"
                           z3="8.43505"
                           zFract="0.37961521"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32698"
                           xFract="0.74964218"
                           y3="6.32256"
                           yFract="0.74911848"
                           z3="6.36571"
                           zFract="0.2864856"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.21979"
                           xFract="0.49997512"
                           y3="2.11214"
                           yFract="0.25025355"
                           z3="8.48249"
                           zFract="0.38175023"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.06169"
                           xFract="0.00730924"
                           y3="2.11256"
                           yFract="0.25030332"
                           z3="6.33516"
                           zFract="0.28511071"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06622"
                           xFract="0.2448128"
                           y3="-0.1541"
                           yFract="-0.01825829"
                           z3="6.33776"
                           zFract="0.28522772"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.00618"
                           xFract="0.00073223"
                           y3="0.19859"
                           yFract="0.02352962"
                           z3="4.2421"
                           zFract="0.19091359"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00486"
                           xFract="0.00057583"
                           y3="-0.00632"
                           yFract="-0.00074882"
                           z3="8.49147"
                           zFract="0.38215437"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.93803"
                           xFract="0.22962441"
                           y3="2.18111"
                           yFract="0.25842536"
                           z3="4.1629"
                           zFract="0.18734923"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12626"
                           xFract="0.25192654"
                           y3="2.08882"
                           yFract="0.24749052"
                           z3="8.50145"
                           zFract="0.38260351"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.15072"
                           xFract="0.49179147"
                           y3="2.03036"
                           yFract="0.24056398"
                           z3="6.23899"
                           zFract="0.28078263"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.35937"
                           xFract="0.75347986"
                           y3="-0.04401"
                           yFract="-0.00521445"
                           z3="6.3715"
                           zFract="0.28674617"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.23171"
                           xFract="0.50138744"
                           y3="0.02881"
                           yFract="0.00341351"
                           z3="4.13205"
                           zFract="0.18596085"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21125"
                           xFract="0.49896327"
                           y3="-0.00871"
                           yFract="-0.00103199"
                           z3="8.5347"
                           zFract="0.38409991"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.52048"
                           xFract="0.77256872"
                           y3="2.14195"
                           yFract="0.25378555"
                           z3="4.23446"
                           zFract="0.19056976"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31239"
                           xFract="0.74791351"
                           y3="2.11345"
                           yFract="0.25040877"
                           z3="8.55081"
                           zFract="0.38482493"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.04993"
                           xFract="0.00591588"
                           y3="6.33524"
                           yFract="0.75062085"
                           z3="6.33716"
                           zFract="0.28520072"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.09098"
                           xFract="0.24774645"
                           y3="4.34177"
                           yFract="0.51442773"
                           z3="6.28753"
                           zFract="0.28296715"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0049"
                           xFract="0.00058057"
                           y3="4.09756"
                           yFract="0.48549289"
                           z3="4.20537"
                           zFract="0.18926058"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01593"
                           xFract="-0.00188744"
                           y3="4.21972"
                           yFract="0.49996682"
                           z3="8.43109"
                           zFract="0.37943699"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.05997"
                           xFract="0.24407227"
                           y3="6.24186"
                           yFract="0.73955687"
                           z3="4.27199"
                           zFract="0.19225878"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1049"
                           xFract="0.24939573"
                           y3="6.33595"
                           yFract="0.75070498"
                           z3="8.42386"
                           zFract="0.37911161"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.15633"
                           xFract="0.49245616"
                           y3="6.41465"
                           yFract="0.76002962"
                           z3="6.35294"
                           zFract="0.28591089"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.36996"
                           xFract="0.7547346"
                           y3="4.26536"
                           yFract="0.50537441"
                           z3="6.33306"
                           zFract="0.2850162"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.23816"
                           xFract="0.50215166"
                           y3="4.1859"
                           yFract="0.49595972"
                           z3="4.2546"
                           zFract="0.19147615"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23022"
                           xFract="0.5012109"
                           y3="4.2325"
                           yFract="0.50148104"
                           z3="8.47065"
                           zFract="0.38121737"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.37527"
                           xFract="0.75536374"
                           y3="6.31937"
                           yFract="0.74874052"
                           z3="4.19779"
                           zFract="0.18891944"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32574"
                           xFract="0.74949526"
                           y3="6.32425"
                           yFract="0.74931872"
                           z3="8.54768"
                           zFract="0.38468407"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.14">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.01047"
                           xFract="0.00124052"
                           y3="0.01103"
                           yFract="0.00130687"
                           z3="6.34942"
                           zFract="0.28575248"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2337"
                           xFract="0.50162322"
                           y3="6.32167"
                           yFract="0.74901303"
                           z3="8.42333"
                           zFract="0.37908776"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.09924"
                           xFract="0.24872512"
                           y3="6.31457"
                           yFract="0.7481718"
                           z3="6.35331"
                           zFract="0.28592754"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34669"
                           xFract="0.75197749"
                           y3="4.21266"
                           yFract="0.49913033"
                           z3="4.2210"
                           zFract="0.189964"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00816"
                           xFract="0.00096682"
                           y3="2.13473"
                           yFract="0.25293009"
                           z3="4.20374"
                           zFract="0.18918722"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01702"
                           xFract="-0.00201659"
                           y3="6.31997"
                           yFract="0.74881161"
                           z3="8.41429"
                           zFract="0.37868092"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.00712"
                           xFract="0.0008436"
                           y3="4.20099"
                           yFract="0.49774763"
                           z3="6.30551"
                           zFract="0.28377633"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33909"
                           xFract="0.75107701"
                           y3="-0.01091"
                           yFract="-0.00129265"
                           z3="8.44749"
                           zFract="0.38017507"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09778"
                           xFract="0.24855213"
                           y3="-0.01774"
                           yFract="-0.0021019"
                           z3="8.42012"
                           zFract="0.37894329"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3286"
                           xFract="0.74983412"
                           y3="4.22814"
                           yFract="0.50096445"
                           z3="8.42679"
                           zFract="0.37924347"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1298"
                           xFract="0.25234597"
                           y3="4.2061"
                           yFract="0.49835308"
                           z3="4.20322"
                           zFract="0.18916382"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1124"
                           xFract="0.25028436"
                           y3="0.01134"
                           yFract="0.0013436"
                           z3="4.23535"
                           zFract="0.19060981"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.01055"
                           xFract="0.00125"
                           y3="6.33939"
                           yFract="0.75111256"
                           z3="4.21485"
                           zFract="0.18968722"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.23051"
                           xFract="0.50124526"
                           y3="4.18467"
                           yFract="0.49581398"
                           z3="6.35419"
                           zFract="0.28596715"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.33167"
                           xFract="0.75019787"
                           y3="2.12492"
                           yFract="0.25176777"
                           z3="6.35848"
                           zFract="0.28616022"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.1062"
                           xFract="0.24954976"
                           y3="2.10459"
                           yFract="0.249359"
                           z3="6.30767"
                           zFract="0.28387354"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21907"
                           xFract="0.49988981"
                           y3="2.10539"
                           yFract="0.24945379"
                           z3="4.1904"
                           zFract="0.18858686"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.34434"
                           xFract="0.75169905"
                           y3="0.02365"
                           yFract="0.00280213"
                           z3="4.27193"
                           zFract="0.19225608"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.20907"
                           xFract="0.49870498"
                           y3="0.02217"
                           yFract="0.00262678"
                           z3="6.39011"
                           zFract="0.28758371"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2011"
                           xFract="0.49776066"
                           y3="6.32351"
                           yFract="0.74923104"
                           z3="4.23579"
                           zFract="0.19062961"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00601"
                           xFract="-0.00071209"
                           y3="2.10739"
                           yFract="0.24969076"
                           z3="8.46769"
                           zFract="0.38108416"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.10427"
                           xFract="0.24932109"
                           y3="4.21886"
                           yFract="0.49986493"
                           z3="8.43509"
                           zFract="0.37961701"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32699"
                           xFract="0.74964336"
                           y3="6.32243"
                           yFract="0.74910308"
                           z3="6.36495"
                           zFract="0.2864514"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.21996"
                           xFract="0.49999526"
                           y3="2.11246"
                           yFract="0.25029147"
                           z3="8.48224"
                           zFract="0.38173897"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.06048"
                           xFract="0.00716588"
                           y3="2.11213"
                           yFract="0.25025237"
                           z3="6.33266"
                           zFract="0.2849982"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06633"
                           xFract="0.24482583"
                           y3="-0.15372"
                           yFract="-0.01821327"
                           z3="6.33724"
                           zFract="0.28520432"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.00584"
                           xFract="0.00069194"
                           y3="0.19796"
                           yFract="0.02345498"
                           z3="4.24185"
                           zFract="0.19090234"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00505"
                           xFract="0.00059834"
                           y3="-0.00625"
                           yFract="-0.00074052"
                           z3="8.49135"
                           zFract="0.38214896"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.93707"
                           xFract="0.22951066"
                           y3="2.18078"
                           yFract="0.25838626"
                           z3="4.16235"
                           zFract="0.18732448"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1255"
                           xFract="0.25183649"
                           y3="2.08893"
                           yFract="0.24750355"
                           z3="8.50154"
                           zFract="0.38260756"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.15239"
                           xFract="0.49198934"
                           y3="2.03047"
                           yFract="0.24057701"
                           z3="6.2394"
                           zFract="0.28080108"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.35964"
                           xFract="0.75351185"
                           y3="-0.04489"
                           yFract="-0.00531872"
                           z3="6.37083"
                           zFract="0.28671602"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.23164"
                           xFract="0.50137915"
                           y3="0.0283"
                           yFract="0.00335308"
                           z3="4.13189"
                           zFract="0.18595365"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21132"
                           xFract="0.49897156"
                           y3="-0.00841"
                           yFract="-0.00099645"
                           z3="8.53437"
                           zFract="0.38408506"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.52061"
                           xFract="0.77258412"
                           y3="2.14179"
                           yFract="0.25376659"
                           z3="4.23339"
                           zFract="0.1905216"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3130"
                           xFract="0.74798578"
                           y3="2.11344"
                           yFract="0.25040758"
                           z3="8.55116"
                           zFract="0.38484068"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.05073"
                           xFract="0.00601066"
                           y3="6.33568"
                           yFract="0.75067299"
                           z3="6.33759"
                           zFract="0.28522007"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.09045"
                           xFract="0.24768365"
                           y3="4.34141"
                           yFract="0.51438507"
                           z3="6.28741"
                           zFract="0.28296175"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.00478"
                           xFract="0.00056635"
                           y3="4.09607"
                           yFract="0.48531635"
                           z3="4.20396"
                           zFract="0.18919712"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01593"
                           xFract="-0.00188744"
                           y3="4.21937"
                           yFract="0.49992536"
                           z3="8.43087"
                           zFract="0.37942709"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.06063"
                           xFract="0.24415047"
                           y3="6.24169"
                           yFract="0.73953673"
                           z3="4.27302"
                           zFract="0.19230513"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10486"
                           xFract="0.249391"
                           y3="6.33626"
                           yFract="0.75074171"
                           z3="8.42379"
                           zFract="0.37910846"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.15555"
                           xFract="0.49236374"
                           y3="6.41451"
                           yFract="0.76001303"
                           z3="6.35364"
                           zFract="0.28594239"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.37082"
                           xFract="0.75483649"
                           y3="4.26603"
                           yFract="0.50545379"
                           z3="6.33289"
                           zFract="0.28500855"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.23815"
                           xFract="0.50215047"
                           y3="4.1864"
                           yFract="0.49601896"
                           z3="4.25403"
                           zFract="0.1914505"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23009"
                           xFract="0.5011955"
                           y3="4.23228"
                           yFract="0.50145498"
                           z3="8.47164"
                           zFract="0.38126193"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.37466"
                           xFract="0.75529147"
                           y3="6.31877"
                           yFract="0.74866943"
                           z3="4.19808"
                           zFract="0.18893249"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32583"
                           xFract="0.74950592"
                           y3="6.32441"
                           yFract="0.74933768"
                           z3="8.54682"
                           zFract="0.38464536"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.15">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.01095"
                           xFract="0.00129739"
                           y3="0.00881"
                           yFract="0.00104384"
                           z3="6.35232"
                           zFract="0.28588299"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23137"
                           xFract="0.50134716"
                           y3="6.32274"
                           yFract="0.74913981"
                           z3="8.41973"
                           zFract="0.37892574"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.0982"
                           xFract="0.2486019"
                           y3="6.31318"
                           yFract="0.74800711"
                           z3="6.35226"
                           zFract="0.28588029"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34529"
                           xFract="0.75181161"
                           y3="4.21443"
                           yFract="0.49934005"
                           z3="4.2224"
                           zFract="0.190027"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01299"
                           xFract="0.0015391"
                           y3="2.14114"
                           yFract="0.25368957"
                           z3="4.2047"
                           zFract="0.18923042"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01597"
                           xFract="-0.00189218"
                           y3="6.32185"
                           yFract="0.74903436"
                           z3="8.41312"
                           zFract="0.37862826"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.00791"
                           xFract="0.0009372"
                           y3="4.20527"
                           yFract="0.49825474"
                           z3="6.3102"
                           zFract="0.2839874"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33742"
                           xFract="0.75087915"
                           y3="-0.0118"
                           yFract="-0.0013981"
                           z3="8.45364"
                           zFract="0.38045185"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09809"
                           xFract="0.24858886"
                           y3="-0.01995"
                           yFract="-0.00236374"
                           z3="8.4194"
                           zFract="0.37891089"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32856"
                           xFract="0.74982938"
                           y3="4.22821"
                           yFract="0.50097275"
                           z3="8.42993"
                           zFract="0.37938479"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.13135"
                           xFract="0.25252962"
                           y3="4.20674"
                           yFract="0.49842891"
                           z3="4.2033"
                           zFract="0.18916742"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.11664"
                           xFract="0.25078673"
                           y3="0.01233"
                           yFract="0.0014609"
                           z3="4.23597"
                           zFract="0.19063771"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.0102"
                           xFract="0.00120853"
                           y3="6.34101"
                           yFract="0.7513045"
                           z3="4.21177"
                           zFract="0.1895486"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.23234"
                           xFract="0.50146209"
                           y3="4.18241"
                           yFract="0.49554621"
                           z3="6.35555"
                           zFract="0.28602835"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32698"
                           xFract="0.74964218"
                           y3="2.12242"
                           yFract="0.25147156"
                           z3="6.3621"
                           zFract="0.28632313"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.10786"
                           xFract="0.24974645"
                           y3="2.10148"
                           yFract="0.24899052"
                           z3="6.30899"
                           zFract="0.28393294"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21878"
                           xFract="0.49985545"
                           y3="2.10597"
                           yFract="0.24952251"
                           z3="4.18863"
                           zFract="0.1885072"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.34405"
                           xFract="0.75166469"
                           y3="0.02245"
                           yFract="0.00265995"
                           z3="4.27184"
                           zFract="0.19225203"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2108"
                           xFract="0.49890995"
                           y3="0.01967"
                           yFract="0.00233057"
                           z3="6.39518"
                           zFract="0.28781188"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20066"
                           xFract="0.49770853"
                           y3="6.32242"
                           yFract="0.7491019"
                           z3="4.23402"
                           zFract="0.19054995"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00493"
                           xFract="-0.00058412"
                           y3="2.10581"
                           yFract="0.24950355"
                           z3="8.4687"
                           zFract="0.38112961"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.10383"
                           xFract="0.24926896"
                           y3="4.21838"
                           yFract="0.49980806"
                           z3="8.43232"
                           zFract="0.37949235"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32613"
                           xFract="0.74954147"
                           y3="6.3212"
                           yFract="0.74895735"
                           z3="6.37054"
                           zFract="0.28670297"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.21955"
                           xFract="0.49994668"
                           y3="2.10932"
                           yFract="0.24991943"
                           z3="8.48402"
                           zFract="0.38181908"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.07167"
                           xFract="0.00849171"
                           y3="2.11175"
                           yFract="0.25020735"
                           z3="6.33941"
                           zFract="0.28530198"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06526"
                           xFract="0.24469905"
                           y3="-0.15713"
                           yFract="-0.0186173"
                           z3="6.33614"
                           zFract="0.28515482"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.00783"
                           xFract="0.00092773"
                           y3="0.19588"
                           yFract="0.02320853"
                           z3="4.24876"
                           zFract="0.19121332"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00215"
                           xFract="0.00025474"
                           y3="-0.00687"
                           yFract="-0.00081398"
                           z3="8.49228"
                           zFract="0.38219082"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.93963"
                           xFract="0.22981398"
                           y3="2.18002"
                           yFract="0.25829621"
                           z3="4.16706"
                           zFract="0.18753645"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12977"
                           xFract="0.25234242"
                           y3="2.09049"
                           yFract="0.24768839"
                           z3="8.50332"
                           zFract="0.38268767"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.14192"
                           xFract="0.49074882"
                           y3="2.02656"
                           yFract="0.24011374"
                           z3="6.23919"
                           zFract="0.28079163"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.36007"
                           xFract="0.7535628"
                           y3="-0.0376"
                           yFract="-0.00445498"
                           z3="6.37306"
                           zFract="0.28681638"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.23286"
                           xFract="0.5015237"
                           y3="0.02701"
                           yFract="0.00320024"
                           z3="4.1335"
                           zFract="0.1860261"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21263"
                           xFract="0.49912678"
                           y3="-0.01228"
                           yFract="-0.00145498"
                           z3="8.53608"
                           zFract="0.38416202"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.51691"
                           xFract="0.77214573"
                           y3="2.14286"
                           yFract="0.25389336"
                           z3="4.24203"
                           zFract="0.19091044"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30928"
                           xFract="0.74754502"
                           y3="2.1134"
                           yFract="0.25040284"
                           z3="8.5499"
                           zFract="0.38478398"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.04651"
                           xFract="0.00551066"
                           y3="6.33445"
                           yFract="0.75052725"
                           z3="6.33767"
                           zFract="0.28522367"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.0922"
                           xFract="0.247891"
                           y3="4.34318"
                           yFract="0.51459479"
                           z3="6.29038"
                           zFract="0.28309541"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.00119"
                           xFract="0.000141"
                           y3="4.09421"
                           yFract="0.48509597"
                           z3="4.2123"
                           zFract="0.18957246"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01502"
                           xFract="-0.00177962"
                           y3="4.22137"
                           yFract="0.50016232"
                           z3="8.43446"
                           zFract="0.37958866"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.0607"
                           xFract="0.24415877"
                           y3="6.24607"
                           yFract="0.74005569"
                           z3="4.27067"
                           zFract="0.19219937"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10488"
                           xFract="0.24939336"
                           y3="6.33092"
                           yFract="0.750109"
                           z3="8.42185"
                           zFract="0.37902115"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.15988"
                           xFract="0.49287678"
                           y3="6.41796"
                           yFract="0.7604218"
                           z3="6.34822"
                           zFract="0.28569847"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.36817"
                           xFract="0.75452251"
                           y3="4.26235"
                           yFract="0.50501777"
                           z3="6.33386"
                           zFract="0.28505221"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.24022"
                           xFract="0.50239573"
                           y3="4.18646"
                           yFract="0.49602607"
                           z3="4.25679"
                           zFract="0.19157471"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22929"
                           xFract="0.50110071"
                           y3="4.2344"
                           yFract="0.50170616"
                           z3="8.46724"
                           zFract="0.38106391"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.37416"
                           xFract="0.75523223"
                           y3="6.32182"
                           yFract="0.74903081"
                           z3="4.20021"
                           zFract="0.18902835"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32587"
                           xFract="0.74951066"
                           y3="6.32428"
                           yFract="0.74932227"
                           z3="8.55075"
                           zFract="0.38482223"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.16">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.01107"
                           xFract="0.00131161"
                           y3="0.00826"
                           yFract="0.00097867"
                           z3="6.35305"
                           zFract="0.28591584"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23079"
                           xFract="0.50127844"
                           y3="6.32301"
                           yFract="0.7491718"
                           z3="8.41884"
                           zFract="0.37888569"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.09794"
                           xFract="0.24857109"
                           y3="6.31283"
                           yFract="0.74796564"
                           z3="6.3520"
                           zFract="0.28586859"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34494"
                           xFract="0.75177014"
                           y3="4.21488"
                           yFract="0.49939336"
                           z3="4.22275"
                           zFract="0.19004275"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01419"
                           xFract="0.00168128"
                           y3="2.14274"
                           yFract="0.25387915"
                           z3="4.20494"
                           zFract="0.18924122"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.0157"
                           xFract="-0.00186019"
                           y3="6.32231"
                           yFract="0.74908886"
                           z3="8.41283"
                           zFract="0.37861521"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0081"
                           xFract="0.00095972"
                           y3="4.20634"
                           yFract="0.49838152"
                           z3="6.31136"
                           zFract="0.2840396"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33701"
                           xFract="0.75083057"
                           y3="-0.01202"
                           yFract="-0.00142417"
                           z3="8.45517"
                           zFract="0.3805207"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09816"
                           xFract="0.24859716"
                           y3="-0.0205"
                           yFract="-0.00242891"
                           z3="8.41922"
                           zFract="0.37890279"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32855"
                           xFract="0.7498282"
                           y3="4.22823"
                           yFract="0.50097512"
                           z3="8.43071"
                           zFract="0.37941989"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.13174"
                           xFract="0.25257583"
                           y3="4.2069"
                           yFract="0.49844787"
                           z3="4.20332"
                           zFract="0.18916832"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1177"
                           xFract="0.25091232"
                           y3="0.01258"
                           yFract="0.00149052"
                           z3="4.23612"
                           zFract="0.19064446"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.01011"
                           xFract="0.00119787"
                           y3="6.34141"
                           yFract="0.7513519"
                           z3="4.2110"
                           zFract="0.18951395"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2328"
                           xFract="0.50151659"
                           y3="4.18185"
                           yFract="0.49547986"
                           z3="6.35588"
                           zFract="0.2860432"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32581"
                           xFract="0.74950355"
                           y3="2.1218"
                           yFract="0.2513981"
                           z3="6.3630"
                           zFract="0.28636364"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.10828"
                           xFract="0.24979621"
                           y3="2.10071"
                           yFract="0.24889929"
                           z3="6.30931"
                           zFract="0.28394734"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2187"
                           xFract="0.49984597"
                           y3="2.10612"
                           yFract="0.24954028"
                           z3="4.18818"
                           zFract="0.18848695"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.34398"
                           xFract="0.7516564"
                           y3="0.02216"
                           yFract="0.00262559"
                           z3="4.27181"
                           zFract="0.19225068"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.21122"
                           xFract="0.49895972"
                           y3="0.01905"
                           yFract="0.00225711"
                           z3="6.39644"
                           zFract="0.28786859"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20055"
                           xFract="0.4976955"
                           y3="6.32215"
                           yFract="0.74906991"
                           z3="4.23357"
                           zFract="0.1905297"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00466"
                           xFract="-0.00055213"
                           y3="2.10542"
                           yFract="0.24945735"
                           z3="8.46896"
                           zFract="0.38114131"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.10372"
                           xFract="0.24925592"
                           y3="4.21826"
                           yFract="0.49979384"
                           z3="8.43163"
                           zFract="0.3794613"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32592"
                           xFract="0.74951659"
                           y3="6.3209"
                           yFract="0.7489218"
                           z3="6.37193"
                           zFract="0.28676553"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.21945"
                           xFract="0.49993483"
                           y3="2.10853"
                           yFract="0.24982583"
                           z3="8.48446"
                           zFract="0.38183888"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.07446"
                           xFract="0.00882227"
                           y3="2.11165"
                           yFract="0.2501955"
                           z3="6.34109"
                           zFract="0.28537759"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06499"
                           xFract="0.24466706"
                           y3="-0.15798"
                           yFract="-0.01871801"
                           z3="6.33587"
                           zFract="0.28514266"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.00833"
                           xFract="0.00098697"
                           y3="0.19537"
                           yFract="0.0231481"
                           z3="4.25047"
                           zFract="0.19129028"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00143"
                           xFract="0.00016943"
                           y3="-0.00703"
                           yFract="-0.00083294"
                           z3="8.49251"
                           zFract="0.38220117"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.94026"
                           xFract="0.22988863"
                           y3="2.17983"
                           yFract="0.2582737"
                           z3="4.16823"
                           zFract="0.18758911"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13084"
                           xFract="0.25246919"
                           y3="2.09088"
                           yFract="0.2477346"
                           z3="8.50377"
                           zFract="0.38270792"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.13931"
                           xFract="0.49043957"
                           y3="2.02558"
                           yFract="0.23999763"
                           z3="6.23914"
                           zFract="0.28078938"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.36018"
                           xFract="0.75357583"
                           y3="-0.03578"
                           yFract="-0.00423934"
                           z3="6.37362"
                           zFract="0.28684158"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.23316"
                           xFract="0.50155924"
                           y3="0.02669"
                           yFract="0.00316232"
                           z3="4.13391"
                           zFract="0.18604455"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21296"
                           xFract="0.49916588"
                           y3="-0.01324"
                           yFract="-0.00156872"
                           z3="8.53651"
                           zFract="0.38418137"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.51599"
                           xFract="0.77203673"
                           y3="2.14312"
                           yFract="0.25392417"
                           z3="4.24418"
                           zFract="0.1910072"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30835"
                           xFract="0.74743483"
                           y3="2.11339"
                           yFract="0.25040166"
                           z3="8.54959"
                           zFract="0.38477003"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.04546"
                           xFract="0.00538626"
                           y3="6.33415"
                           yFract="0.75049171"
                           z3="6.33769"
                           zFract="0.28522457"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.09264"
                           xFract="0.24794313"
                           y3="4.34362"
                           yFract="0.51464692"
                           z3="6.29111"
                           zFract="0.28312826"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.00029"
                           xFract="0.00003436"
                           y3="4.09374"
                           yFract="0.48504028"
                           z3="4.21437"
                           zFract="0.18966562"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0148"
                           xFract="-0.00175355"
                           y3="4.22187"
                           yFract="0.50022156"
                           z3="8.43536"
                           zFract="0.37962916"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.06071"
                           xFract="0.24415995"
                           y3="6.24715"
                           yFract="0.74018365"
                           z3="4.27008"
                           zFract="0.19217282"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10488"
                           xFract="0.24939336"
                           y3="6.32959"
                           yFract="0.74995142"
                           z3="8.42137"
                           zFract="0.37899955"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.16096"
                           xFract="0.49300474"
                           y3="6.41882"
                           yFract="0.7605237"
                           z3="6.34688"
                           zFract="0.28563816"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.36751"
                           xFract="0.75444431"
                           y3="4.26144"
                           yFract="0.50490995"
                           z3="6.3341"
                           zFract="0.28506301"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.24074"
                           xFract="0.50245735"
                           y3="4.18647"
                           yFract="0.49602725"
                           z3="4.25748"
                           zFract="0.19160576"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22909"
                           xFract="0.50107701"
                           y3="4.23493"
                           yFract="0.50176896"
                           z3="8.46615"
                           zFract="0.38101485"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.37404"
                           xFract="0.75521801"
                           y3="6.32258"
                           yFract="0.74912085"
                           z3="4.20073"
                           zFract="0.18905176"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32588"
                           xFract="0.74951185"
                           y3="6.32425"
                           yFract="0.74931872"
                           z3="8.55173"
                           zFract="0.38486634"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.17">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.01131"
                           xFract="0.00134005"
                           y3="0.00715"
                           yFract="0.00084716"
                           z3="6.3545"
                           zFract="0.2859811"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.22963"
                           xFract="0.501141"
                           y3="6.32354"
                           yFract="0.7492346"
                           z3="8.41705"
                           zFract="0.37880513"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.09742"
                           xFract="0.24850948"
                           y3="6.31214"
                           yFract="0.74788389"
                           z3="6.35148"
                           zFract="0.28584518"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34424"
                           xFract="0.7516872"
                           y3="4.21576"
                           yFract="0.49949763"
                           z3="4.22344"
                           zFract="0.19007381"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01659"
                           xFract="0.00196564"
                           y3="2.14593"
                           yFract="0.25425711"
                           z3="4.20541"
                           zFract="0.18926238"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01518"
                           xFract="-0.00179858"
                           y3="6.32324"
                           yFract="0.74919905"
                           z3="8.41225"
                           zFract="0.37858911"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.00849"
                           xFract="0.00100592"
                           y3="4.20846"
                           yFract="0.4986327"
                           z3="6.3137"
                           zFract="0.28414491"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33617"
                           xFract="0.75073104"
                           y3="-0.01246"
                           yFract="-0.0014763"
                           z3="8.45823"
                           zFract="0.38065842"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09831"
                           xFract="0.24861493"
                           y3="-0.0216"
                           yFract="-0.00255924"
                           z3="8.41886"
                           zFract="0.37888659"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32853"
                           xFract="0.74982583"
                           y3="4.22827"
                           yFract="0.50097986"
                           z3="8.43228"
                           zFract="0.37949055"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.13251"
                           xFract="0.25266706"
                           y3="4.20721"
                           yFract="0.4984846"
                           z3="4.20336"
                           zFract="0.18917012"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.11981"
                           xFract="0.25116232"
                           y3="0.01307"
                           yFract="0.00154858"
                           z3="4.23643"
                           zFract="0.19065842"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.00994"
                           xFract="0.00117773"
                           y3="6.34221"
                           yFract="0.75144668"
                           z3="4.20947"
                           zFract="0.18944509"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.23371"
                           xFract="0.50162441"
                           y3="4.18073"
                           yFract="0.49534716"
                           z3="6.35656"
                           zFract="0.28607381"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32348"
                           xFract="0.74922749"
                           y3="2.12055"
                           yFract="0.25125"
                           z3="6.3648"
                           zFract="0.28644464"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.10911"
                           xFract="0.24989455"
                           y3="2.09917"
                           yFract="0.24871682"
                           z3="6.30997"
                           zFract="0.28397705"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21855"
                           xFract="0.4998282"
                           y3="2.10641"
                           yFract="0.24957464"
                           z3="4.1873"
                           zFract="0.18844734"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.34383"
                           xFract="0.75163863"
                           y3="0.02156"
                           yFract="0.0025545"
                           z3="4.27177"
                           zFract="0.19224887"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.21208"
                           xFract="0.49906161"
                           y3="0.01781"
                           yFract="0.00211019"
                           z3="6.39896"
                           zFract="0.287982"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20034"
                           xFract="0.49767062"
                           y3="6.32161"
                           yFract="0.74900592"
                           z3="4.23269"
                           zFract="0.1904901"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00412"
                           xFract="-0.00048815"
                           y3="2.10464"
                           yFract="0.24936493"
                           z3="8.46946"
                           zFract="0.38116382"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1035"
                           xFract="0.24922986"
                           y3="4.21802"
                           yFract="0.4997654"
                           z3="8.43025"
                           zFract="0.37939919"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32549"
                           xFract="0.74946564"
                           y3="6.32029"
                           yFract="0.74884953"
                           z3="6.3747"
                           zFract="0.28689019"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.21925"
                           xFract="0.49991114"
                           y3="2.10697"
                           yFract="0.249641"
                           z3="8.48534"
                           zFract="0.38187849"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.08003"
                           xFract="0.00948223"
                           y3="2.11146"
                           yFract="0.25017299"
                           z3="6.34444"
                           zFract="0.28552835"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06446"
                           xFract="0.24460427"
                           y3="-0.15967"
                           yFract="-0.01891825"
                           z3="6.33532"
                           zFract="0.28511791"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.00932"
                           xFract="0.00110427"
                           y3="0.19433"
                           yFract="0.02302488"
                           z3="4.25391"
                           zFract="0.19144509"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00002"
                           xFract="-0.00000237"
                           y3="-0.00734"
                           yFract="-0.00086967"
                           z3="8.49297"
                           zFract="0.38222187"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.94153"
                           xFract="0.2300391"
                           y3="2.17945"
                           yFract="0.25822867"
                           z3="4.17057"
                           zFract="0.18769442"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13297"
                           xFract="0.25272156"
                           y3="2.09165"
                           yFract="0.24782583"
                           z3="8.50466"
                           zFract="0.38274797"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.1341"
                           xFract="0.48982227"
                           y3="2.02364"
                           yFract="0.23976777"
                           z3="6.23904"
                           zFract="0.28078488"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3604"
                           xFract="0.7536019"
                           y3="-0.03216"
                           yFract="-0.00381043"
                           z3="6.37473"
                           zFract="0.28689154"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.23377"
                           xFract="0.50163152"
                           y3="0.02605"
                           yFract="0.00308649"
                           z3="4.13471"
                           zFract="0.18608056"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21361"
                           xFract="0.49924289"
                           y3="-0.01516"
                           yFract="-0.00179621"
                           z3="8.53736"
                           zFract="0.38421962"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.51415"
                           xFract="0.77181872"
                           y3="2.14365"
                           yFract="0.25398697"
                           z3="4.24848"
                           zFract="0.19120072"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3065"
                           xFract="0.74721564"
                           y3="2.11337"
                           yFract="0.25039929"
                           z3="8.54897"
                           zFract="0.38474212"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.04336"
                           xFract="0.00513744"
                           y3="6.33354"
                           yFract="0.75041943"
                           z3="6.33774"
                           zFract="0.28522682"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.09351"
                           xFract="0.24804621"
                           y3="4.34451"
                           yFract="0.51475237"
                           z3="6.29259"
                           zFract="0.28319487"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="-0.00149"
                           xFract="-0.00017654"
                           y3="4.09281"
                           yFract="0.48493009"
                           z3="4.21852"
                           zFract="0.18985239"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01435"
                           xFract="-0.00170024"
                           y3="4.22287"
                           yFract="0.50034005"
                           z3="8.43714"
                           zFract="0.37970927"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.06074"
                           xFract="0.24416351"
                           y3="6.24933"
                           yFract="0.74044194"
                           z3="4.26891"
                           zFract="0.19212016"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10489"
                           xFract="0.24939455"
                           y3="6.32693"
                           yFract="0.74963626"
                           z3="8.4204"
                           zFract="0.3789559"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.16312"
                           xFract="0.49326066"
                           y3="6.42054"
                           yFract="0.76072749"
                           z3="6.34418"
                           zFract="0.28551665"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3662"
                           xFract="0.7542891"
                           y3="4.25961"
                           yFract="0.50469313"
                           z3="6.33458"
                           zFract="0.28508461"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.24177"
                           xFract="0.50257938"
                           y3="4.1865"
                           yFract="0.49603081"
                           z3="4.25885"
                           zFract="0.19166742"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22869"
                           xFract="0.50102962"
                           y3="4.23599"
                           yFract="0.50189455"
                           z3="8.46396"
                           zFract="0.38091629"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.37379"
                           xFract="0.75518839"
                           y3="6.3241"
                           yFract="0.74930095"
                           z3="4.20179"
                           zFract="0.18909946"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3259"
                           xFract="0.74951422"
                           y3="6.32419"
                           yFract="0.74931161"
                           z3="8.55369"
                           zFract="0.38495455"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.18">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.01113"
                           xFract="0.00131872"
                           y3="0.0080"
                           yFract="0.00094787"
                           z3="6.35338"
                           zFract="0.28593069"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23052"
                           xFract="0.50124645"
                           y3="6.32313"
                           yFract="0.74918602"
                           z3="8.41843"
                           zFract="0.37886724"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.09782"
                           xFract="0.24855687"
                           y3="6.31267"
                           yFract="0.74794668"
                           z3="6.35188"
                           zFract="0.28586319"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34478"
                           xFract="0.75175118"
                           y3="4.21508"
                           yFract="0.49941706"
                           z3="4.22291"
                           zFract="0.19004995"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01475"
                           xFract="0.00174763"
                           y3="2.14348"
                           yFract="0.25396682"
                           z3="4.20505"
                           zFract="0.18924617"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01558"
                           xFract="-0.00184597"
                           y3="6.32253"
                           yFract="0.74911493"
                           z3="8.41269"
                           zFract="0.37860891"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.00819"
                           xFract="0.00097038"
                           y3="4.20683"
                           yFract="0.49843957"
                           z3="6.3119"
                           zFract="0.28406391"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33681"
                           xFract="0.75080687"
                           y3="-0.01212"
                           yFract="-0.00143602"
                           z3="8.45588"
                           zFract="0.38055266"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.0982"
                           xFract="0.2486019"
                           y3="-0.02075"
                           yFract="-0.00245853"
                           z3="8.41913"
                           zFract="0.37889874"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32855"
                           xFract="0.7498282"
                           y3="4.22824"
                           yFract="0.5009763"
                           z3="8.43107"
                           zFract="0.37943609"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.13191"
                           xFract="0.25259597"
                           y3="4.20697"
                           yFract="0.49845616"
                           z3="4.20333"
                           zFract="0.18916877"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.11818"
                           xFract="0.25096919"
                           y3="0.01269"
                           yFract="0.00150355"
                           z3="4.2362"
                           zFract="0.19064806"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.01007"
                           xFract="0.00119313"
                           y3="6.34159"
                           yFract="0.75137322"
                           z3="4.21065"
                           zFract="0.1894982"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.23301"
                           xFract="0.50154147"
                           y3="4.18159"
                           yFract="0.49544905"
                           z3="6.35604"
                           zFract="0.28605041"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32528"
                           xFract="0.74944076"
                           y3="2.12151"
                           yFract="0.25136374"
                           z3="6.36342"
                           zFract="0.28638254"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.10847"
                           xFract="0.24981872"
                           y3="2.10036"
                           yFract="0.24885782"
                           z3="6.30946"
                           zFract="0.2839541"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21867"
                           xFract="0.49984242"
                           y3="2.10619"
                           yFract="0.24954858"
                           z3="4.18798"
                           zFract="0.18847795"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.34394"
                           xFract="0.75165166"
                           y3="0.02202"
                           yFract="0.002609"
                           z3="4.2718"
                           zFract="0.19225023"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.21142"
                           xFract="0.49898341"
                           y3="0.01877"
                           yFract="0.00222393"
                           z3="6.39702"
                           zFract="0.28789469"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2005"
                           xFract="0.49768957"
                           y3="6.32203"
                           yFract="0.74905569"
                           z3="4.23337"
                           zFract="0.1905207"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00453"
                           xFract="-0.00053673"
                           y3="2.10524"
                           yFract="0.24943602"
                           z3="8.46907"
                           zFract="0.38114626"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.10367"
                           xFract="0.24925"
                           y3="4.2182"
                           yFract="0.49978673"
                           z3="8.43131"
                           zFract="0.37944689"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32582"
                           xFract="0.74950474"
                           y3="6.32075"
                           yFract="0.74890403"
                           z3="6.37257"
                           zFract="0.28679433"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.21941"
                           xFract="0.49993009"
                           y3="2.10817"
                           yFract="0.24978318"
                           z3="8.48466"
                           zFract="0.38184788"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.07574"
                           xFract="0.00897393"
                           y3="2.1116"
                           yFract="0.25018957"
                           z3="6.34186"
                           zFract="0.28541224"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06487"
                           xFract="0.24465284"
                           y3="-0.15837"
                           yFract="-0.01876422"
                           z3="6.33574"
                           zFract="0.28513681"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.00855"
                           xFract="0.00101303"
                           y3="0.19513"
                           yFract="0.02311967"
                           z3="4.25127"
                           zFract="0.19132628"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00109"
                           xFract="0.00012915"
                           y3="-0.0071"
                           yFract="-0.00084123"
                           z3="8.49262"
                           zFract="0.38220612"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.94056"
                           xFract="0.22992417"
                           y3="2.17974"
                           yFract="0.25826303"
                           z3="4.16877"
                           zFract="0.18761341"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13133"
                           xFract="0.25252725"
                           y3="2.09105"
                           yFract="0.24775474"
                           z3="8.50397"
                           zFract="0.38271692"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.13811"
                           xFract="0.49029739"
                           y3="2.02513"
                           yFract="0.23994431"
                           z3="6.23912"
                           zFract="0.28078848"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.36023"
                           xFract="0.75358175"
                           y3="-0.03495"
                           yFract="-0.004141"
                           z3="6.37388"
                           zFract="0.28685329"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2333"
                           xFract="0.50157583"
                           y3="0.02654"
                           yFract="0.00314455"
                           z3="4.13409"
                           zFract="0.18605266"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21311"
                           xFract="0.49918365"
                           y3="-0.01368"
                           yFract="-0.00162085"
                           z3="8.53671"
                           zFract="0.38419037"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.51557"
                           xFract="0.77198697"
                           y3="2.14324"
                           yFract="0.25393839"
                           z3="4.24518"
                           zFract="0.19105221"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30793"
                           xFract="0.74738507"
                           y3="2.11338"
                           yFract="0.25040047"
                           z3="8.54945"
                           zFract="0.38476373"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.04497"
                           xFract="0.0053282"
                           y3="6.33401"
                           yFract="0.75047512"
                           z3="6.3377"
                           zFract="0.28522502"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.09284"
                           xFract="0.24796682"
                           y3="4.34383"
                           yFract="0.5146718"
                           z3="6.29146"
                           zFract="0.28314401"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="-0.00012"
                           xFract="-0.00001422"
                           y3="4.09353"
                           yFract="0.4850154"
                           z3="4.21533"
                           zFract="0.18970882"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01469"
                           xFract="-0.00174052"
                           y3="4.2221"
                           yFract="0.50024882"
                           z3="8.43577"
                           zFract="0.37964761"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.06072"
                           xFract="0.24416114"
                           y3="6.24766"
                           yFract="0.74024408"
                           z3="4.26981"
                           zFract="0.19216067"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10488"
                           xFract="0.24939336"
                           y3="6.32898"
                           yFract="0.74987915"
                           z3="8.42114"
                           zFract="0.3789892"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.16146"
                           xFract="0.49306398"
                           y3="6.41921"
                           yFract="0.76056991"
                           z3="6.34626"
                           zFract="0.28561026"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.36721"
                           xFract="0.75440877"
                           y3="4.26102"
                           yFract="0.50486019"
                           z3="6.33421"
                           zFract="0.28506796"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.24097"
                           xFract="0.5024846"
                           y3="4.18648"
                           yFract="0.49602844"
                           z3="4.25779"
                           zFract="0.19161971"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22899"
                           xFract="0.50106517"
                           y3="4.23518"
                           yFract="0.50179858"
                           z3="8.46564"
                           zFract="0.3809919"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.37398"
                           xFract="0.7552109"
                           y3="6.32293"
                           yFract="0.74916232"
                           z3="4.20098"
                           zFract="0.18906301"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32589"
                           xFract="0.74951303"
                           y3="6.32424"
                           yFract="0.74931754"
                           z3="8.55218"
                           zFract="0.38488659"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.19">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.01029"
                           xFract="0.00121919"
                           y3="0.0089"
                           yFract="0.0010545"
                           z3="6.35669"
                           zFract="0.28607966"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23033"
                           xFract="0.50122393"
                           y3="6.32136"
                           yFract="0.7489763"
                           z3="8.41534"
                           zFract="0.37872817"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.09859"
                           xFract="0.2486481"
                           y3="6.31396"
                           yFract="0.74809953"
                           z3="6.34944"
                           zFract="0.28575338"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34534"
                           xFract="0.75181754"
                           y3="4.21722"
                           yFract="0.49967062"
                           z3="4.22478"
                           zFract="0.19013411"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01132"
                           xFract="0.00134123"
                           y3="2.14216"
                           yFract="0.25381043"
                           z3="4.21167"
                           zFract="0.1895441"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01662"
                           xFract="-0.00196919"
                           y3="6.32299"
                           yFract="0.74916943"
                           z3="8.4140"
                           zFract="0.37866787"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.00874"
                           xFract="0.00103555"
                           y3="4.20642"
                           yFract="0.498391"
                           z3="6.31708"
                           zFract="0.28429703"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33558"
                           xFract="0.75066114"
                           y3="-0.01459"
                           yFract="-0.00172867"
                           z3="8.46002"
                           zFract="0.38073897"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09786"
                           xFract="0.24856161"
                           y3="-0.02372"
                           yFract="-0.00281043"
                           z3="8.41965"
                           zFract="0.37892214"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3277"
                           xFract="0.74972749"
                           y3="4.22951"
                           yFract="0.50112678"
                           z3="8.43391"
                           zFract="0.37956391"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1320"
                           xFract="0.25260664"
                           y3="4.20869"
                           yFract="0.49865995"
                           z3="4.20514"
                           zFract="0.18925023"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.12197"
                           xFract="0.25141825"
                           y3="0.01513"
                           yFract="0.00179265"
                           z3="4.23777"
                           zFract="0.19071872"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.00986"
                           xFract="0.00116825"
                           y3="6.3420"
                           yFract="0.7514218"
                           z3="4.20954"
                           zFract="0.18944824"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.23323"
                           xFract="0.50156754"
                           y3="4.18043"
                           yFract="0.49531161"
                           z3="6.35652"
                           zFract="0.28607201"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32312"
                           xFract="0.74918483"
                           y3="2.12039"
                           yFract="0.25123104"
                           z3="6.36822"
                           zFract="0.28659856"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.10609"
                           xFract="0.24953673"
                           y3="2.09858"
                           yFract="0.24864692"
                           z3="6.31248"
                           zFract="0.28409001"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21845"
                           xFract="0.49981635"
                           y3="2.10604"
                           yFract="0.24953081"
                           z3="4.18644"
                           zFract="0.18840864"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.34459"
                           xFract="0.75172867"
                           y3="0.02159"
                           yFract="0.00255806"
                           z3="4.27325"
                           zFract="0.19231548"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.21262"
                           xFract="0.49912559"
                           y3="0.01712"
                           yFract="0.00202844"
                           z3="6.39819"
                           zFract="0.28794734"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20133"
                           xFract="0.49778791"
                           y3="6.32227"
                           yFract="0.74908412"
                           z3="4.23082"
                           zFract="0.19040594"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00312"
                           xFract="-0.00036967"
                           y3="2.10522"
                           yFract="0.24943365"
                           z3="8.46941"
                           zFract="0.38116157"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.10416"
                           xFract="0.24930806"
                           y3="4.2162"
                           yFract="0.49954976"
                           z3="8.42971"
                           zFract="0.37937489"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32428"
                           xFract="0.74932227"
                           y3="6.3211"
                           yFract="0.7489455"
                           z3="6.37646"
                           zFract="0.2869694"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.21846"
                           xFract="0.49981754"
                           y3="2.10707"
                           yFract="0.24965284"
                           z3="8.48596"
                           zFract="0.38190639"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0888"
                           xFract="0.01052133"
                           y3="2.11105"
                           yFract="0.25012441"
                           z3="6.34278"
                           zFract="0.28545365"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06437"
                           xFract="0.2445936"
                           y3="-0.1646"
                           yFract="-0.01950237"
                           z3="6.33729"
                           zFract="0.28520657"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.01004"
                           xFract="0.00118957"
                           y3="0.19686"
                           yFract="0.02332464"
                           z3="4.25672"
                           zFract="0.19157156"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00098"
                           xFract="0.00011611"
                           y3="-0.0067"
                           yFract="-0.00079384"
                           z3="8.49587"
                           zFract="0.38235239"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.94231"
                           xFract="0.23013152"
                           y3="2.18129"
                           yFract="0.25844668"
                           z3="4.16953"
                           zFract="0.18764761"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13432"
                           xFract="0.25288152"
                           y3="2.08959"
                           yFract="0.24758175"
                           z3="8.50888"
                           zFract="0.38293789"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.12709"
                           xFract="0.48899171"
                           y3="2.01841"
                           yFract="0.2391481"
                           z3="6.24037"
                           zFract="0.28084473"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.36246"
                           xFract="0.75384597"
                           y3="-0.02796"
                           yFract="-0.0033128"
                           z3="6.37766"
                           zFract="0.2870234"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2348"
                           xFract="0.50175355"
                           y3="0.02376"
                           yFract="0.00281517"
                           z3="4.13351"
                           zFract="0.18602655"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21277"
                           xFract="0.49914336"
                           y3="-0.01748"
                           yFract="-0.00207109"
                           z3="8.54011"
                           zFract="0.38434338"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.51757"
                           xFract="0.77222393"
                           y3="2.14468"
                           yFract="0.254109"
                           z3="4.25317"
                           zFract="0.19141179"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30532"
                           xFract="0.74707583"
                           y3="2.1134"
                           yFract="0.25040284"
                           z3="8.5494"
                           zFract="0.38476148"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.04124"
                           xFract="0.00488626"
                           y3="6.33364"
                           yFract="0.75043128"
                           z3="6.33948"
                           zFract="0.28530513"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.09436"
                           xFract="0.24814692"
                           y3="4.34621"
                           yFract="0.51495379"
                           z3="6.29101"
                           zFract="0.28312376"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="-0.00075"
                           xFract="-0.00008886"
                           y3="4.09187"
                           yFract="0.48481872"
                           z3="4.21641"
                           zFract="0.18975743"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01574"
                           xFract="-0.00186493"
                           y3="4.22183"
                           yFract="0.50021682"
                           z3="8.4403"
                           zFract="0.37985149"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.06213"
                           xFract="0.2443282"
                           y3="6.24849"
                           yFract="0.74034242"
                           z3="4.27249"
                           zFract="0.19228128"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10414"
                           xFract="0.24930569"
                           y3="6.32696"
                           yFract="0.74963981"
                           z3="8.41615"
                           zFract="0.37876463"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.16406"
                           xFract="0.49337204"
                           y3="6.42199"
                           yFract="0.76089929"
                           z3="6.34276"
                           zFract="0.28545275"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.36751"
                           xFract="0.75444431"
                           y3="4.25557"
                           yFract="0.50421445"
                           z3="6.33808"
                           zFract="0.28524212"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.24169"
                           xFract="0.50256991"
                           y3="4.18929"
                           yFract="0.49636137"
                           z3="4.26042"
                           zFract="0.19173807"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22932"
                           xFract="0.50110427"
                           y3="4.23721"
                           yFract="0.5020391"
                           z3="8.46347"
                           zFract="0.38089424"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.37179"
                           xFract="0.75495142"
                           y3="6.32385"
                           yFract="0.74927133"
                           z3="4.20495"
                           zFract="0.18924167"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32618"
                           xFract="0.74954739"
                           y3="6.32466"
                           yFract="0.7493673"
                           z3="8.55385"
                           zFract="0.38496175"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.20">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.00978"
                           xFract="0.00115877"
                           y3="0.00945"
                           yFract="0.00111967"
                           z3="6.35873"
                           zFract="0.28617147"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23021"
                           xFract="0.50120972"
                           y3="6.32027"
                           yFract="0.74884716"
                           z3="8.41343"
                           zFract="0.37864221"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.09906"
                           xFract="0.24870379"
                           y3="6.31476"
                           yFract="0.74819431"
                           z3="6.34793"
                           zFract="0.28568542"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34569"
                           xFract="0.751859"
                           y3="4.21854"
                           yFract="0.49982701"
                           z3="4.22593"
                           zFract="0.19018587"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0092"
                           xFract="0.00109005"
                           y3="2.14135"
                           yFract="0.25371445"
                           z3="4.21575"
                           zFract="0.18972772"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01727"
                           xFract="-0.00204621"
                           y3="6.32327"
                           yFract="0.74920261"
                           z3="8.41481"
                           zFract="0.37870432"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.00908"
                           xFract="0.00107583"
                           y3="4.20616"
                           yFract="0.49836019"
                           z3="6.32027"
                           zFract="0.28444059"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33482"
                           xFract="0.75057109"
                           y3="-0.01611"
                           yFract="-0.00190877"
                           z3="8.46257"
                           zFract="0.38085374"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09765"
                           xFract="0.24853673"
                           y3="-0.02556"
                           yFract="-0.00302844"
                           z3="8.41998"
                           zFract="0.37893699"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32718"
                           xFract="0.74966588"
                           y3="4.2303"
                           yFract="0.50122038"
                           z3="8.43566"
                           zFract="0.37964266"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.13205"
                           xFract="0.25261256"
                           y3="4.20976"
                           yFract="0.49878673"
                           z3="4.20626"
                           zFract="0.18930063"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.12431"
                           xFract="0.2516955"
                           y3="0.01663"
                           yFract="0.00197038"
                           z3="4.23874"
                           zFract="0.19076238"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.00972"
                           xFract="0.00115166"
                           y3="6.34225"
                           yFract="0.75145142"
                           z3="4.20886"
                           zFract="0.18941764"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.23336"
                           xFract="0.50158294"
                           y3="4.17971"
                           yFract="0.4952263"
                           z3="6.35682"
                           zFract="0.28608551"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3218"
                           xFract="0.74902844"
                           y3="2.1197"
                           yFract="0.25114929"
                           z3="6.37119"
                           zFract="0.28673222"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.10462"
                           xFract="0.24936256"
                           y3="2.09748"
                           yFract="0.24851659"
                           z3="6.31435"
                           zFract="0.28417417"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21832"
                           xFract="0.49980095"
                           y3="2.10594"
                           yFract="0.24951896"
                           z3="4.18548"
                           zFract="0.18836544"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3450"
                           xFract="0.75177725"
                           y3="0.02132"
                           yFract="0.00252607"
                           z3="4.27414"
                           zFract="0.19235554"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.21336"
                           xFract="0.49921327"
                           y3="0.01611"
                           yFract="0.00190877"
                           z3="6.39891"
                           zFract="0.28797975"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20183"
                           xFract="0.49784716"
                           y3="6.32242"
                           yFract="0.7491019"
                           z3="4.22924"
                           zFract="0.19033483"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00225"
                           xFract="-0.00026659"
                           y3="2.10521"
                           yFract="0.24943246"
                           z3="8.46962"
                           zFract="0.38117102"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.10447"
                           xFract="0.24934479"
                           y3="4.21496"
                           yFract="0.49940284"
                           z3="8.42872"
                           zFract="0.37933033"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32332"
                           xFract="0.74920853"
                           y3="6.32132"
                           yFract="0.74897156"
                           z3="6.37886"
                           zFract="0.28707741"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.21787"
                           xFract="0.49974763"
                           y3="2.1064"
                           yFract="0.24957346"
                           z3="8.48676"
                           zFract="0.38194239"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.09685"
                           xFract="0.01147512"
                           y3="2.11071"
                           yFract="0.25008412"
                           z3="6.34334"
                           zFract="0.28547885"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06405"
                           xFract="0.24455569"
                           y3="-0.16845"
                           yFract="-0.01995853"
                           z3="6.33825"
                           zFract="0.28524977"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.01095"
                           xFract="0.00129739"
                           y3="0.19794"
                           yFract="0.02345261"
                           z3="4.26008"
                           zFract="0.19172277"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00091"
                           xFract="0.00010782"
                           y3="-0.00645"
                           yFract="-0.00076422"
                           z3="8.49788"
                           zFract="0.38244284"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.94339"
                           xFract="0.23025948"
                           y3="2.18225"
                           yFract="0.25856043"
                           z3="4.1700"
                           zFract="0.18766877"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13616"
                           xFract="0.25309953"
                           y3="2.08869"
                           yFract="0.24747512"
                           z3="8.51191"
                           zFract="0.38307426"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.1203"
                           xFract="0.4881872"
                           y3="2.01426"
                           yFract="0.2386564"
                           z3="6.24114"
                           zFract="0.28087939"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.36384"
                           xFract="0.75400948"
                           y3="-0.02364"
                           yFract="-0.00280095"
                           z3="6.3800"
                           zFract="0.28712871"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.23572"
                           xFract="0.50186256"
                           y3="0.02204"
                           yFract="0.00261137"
                           z3="4.13316"
                           zFract="0.1860108"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21257"
                           xFract="0.49911967"
                           y3="-0.01982"
                           yFract="-0.00234834"
                           z3="8.5422"
                           zFract="0.38443744"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.51881"
                           xFract="0.77237085"
                           y3="2.14557"
                           yFract="0.25421445"
                           z3="4.25811"
                           zFract="0.19163411"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30371"
                           xFract="0.74688507"
                           y3="2.11341"
                           yFract="0.25040403"
                           z3="8.54936"
                           zFract="0.38475968"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.03893"
                           xFract="0.00461256"
                           y3="6.33342"
                           yFract="0.75040521"
                           z3="6.34057"
                           zFract="0.28535419"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.09529"
                           xFract="0.24825711"
                           y3="4.34767"
                           yFract="0.51512678"
                           z3="6.29074"
                           zFract="0.28311161"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="-0.00113"
                           xFract="-0.00013389"
                           y3="4.09084"
                           yFract="0.48469668"
                           z3="4.21707"
                           zFract="0.18978713"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01639"
                           xFract="-0.00194194"
                           y3="4.22167"
                           yFract="0.50019787"
                           z3="8.4431"
                           zFract="0.3799775"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.06299"
                           xFract="0.24443009"
                           y3="6.2490"
                           yFract="0.74040284"
                           z3="4.27413"
                           zFract="0.19235509"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10368"
                           xFract="0.24925118"
                           y3="6.32572"
                           yFract="0.74949289"
                           z3="8.41307"
                           zFract="0.37862601"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.16567"
                           xFract="0.4935628"
                           y3="6.42371"
                           yFract="0.76110308"
                           z3="6.34061"
                           zFract="0.28535599"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3677"
                           xFract="0.75446682"
                           y3="4.25221"
                           yFract="0.50381635"
                           z3="6.34046"
                           zFract="0.28534923"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.24213"
                           xFract="0.50262204"
                           y3="4.19102"
                           yFract="0.49656635"
                           z3="4.26205"
                           zFract="0.19181143"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22952"
                           xFract="0.50112796"
                           y3="4.23846"
                           yFract="0.5021872"
                           z3="8.46213"
                           zFract="0.38083393"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.37045"
                           xFract="0.75479265"
                           y3="6.32442"
                           yFract="0.74933886"
                           z3="4.20739"
                           zFract="0.18935149"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32637"
                           xFract="0.74956991"
                           y3="6.32493"
                           yFract="0.74939929"
                           z3="8.55488"
                           zFract="0.3850081"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.21">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.01154"
                           xFract="0.0013673"
                           y3="0.01061"
                           yFract="0.00125711"
                           z3="6.36051"
                           zFract="0.28625158"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23028"
                           xFract="0.50121801"
                           y3="6.31781"
                           yFract="0.74855569"
                           z3="8.41262"
                           zFract="0.37860576"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.09852"
                           xFract="0.24863981"
                           y3="6.31124"
                           yFract="0.74777725"
                           z3="6.34759"
                           zFract="0.28567012"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34761"
                           xFract="0.75208649"
                           y3="4.21887"
                           yFract="0.49986611"
                           z3="4.22811"
                           zFract="0.19028398"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01595"
                           xFract="0.00188981"
                           y3="2.13949"
                           yFract="0.25349408"
                           z3="4.21906"
                           zFract="0.18987669"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01812"
                           xFract="-0.00214692"
                           y3="6.3217"
                           yFract="0.74901659"
                           z3="8.41823"
                           zFract="0.37885824"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.00963"
                           xFract="0.001141"
                           y3="4.20374"
                           yFract="0.49807346"
                           z3="6.32091"
                           zFract="0.2844694"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33419"
                           xFract="0.75049645"
                           y3="-0.01692"
                           yFract="-0.00200474"
                           z3="8.46546"
                           zFract="0.3809838"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09824"
                           xFract="0.24860664"
                           y3="-0.02783"
                           yFract="-0.00329739"
                           z3="8.42263"
                           zFract="0.37905626"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32596"
                           xFract="0.74952133"
                           y3="4.23067"
                           yFract="0.50126422"
                           z3="8.43853"
                           zFract="0.37977183"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.13024"
                           xFract="0.2523981"
                           y3="4.20929"
                           yFract="0.49873104"
                           z3="4.20779"
                           zFract="0.18936949"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.12581"
                           xFract="0.25187322"
                           y3="0.02172"
                           yFract="0.00257346"
                           z3="4.24113"
                           zFract="0.19086994"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.00978"
                           xFract="0.00115877"
                           y3="6.34167"
                           yFract="0.7513827"
                           z3="4.21249"
                           zFract="0.18958101"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.23294"
                           xFract="0.50153318"
                           y3="4.17795"
                           yFract="0.49501777"
                           z3="6.35524"
                           zFract="0.2860144"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32145"
                           xFract="0.74898697"
                           y3="2.12085"
                           yFract="0.25128555"
                           z3="6.37658"
                           zFract="0.2869748"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.10699"
                           xFract="0.24964336"
                           y3="2.09579"
                           yFract="0.24831635"
                           z3="6.3164"
                           zFract="0.28426643"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21775"
                           xFract="0.49973341"
                           y3="2.10575"
                           yFract="0.24949645"
                           z3="4.18792"
                           zFract="0.18847525"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.34694"
                           xFract="0.75200711"
                           y3="0.02181"
                           yFract="0.00258412"
                           z3="4.27668"
                           zFract="0.19246985"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.21333"
                           xFract="0.49920972"
                           y3="0.01571"
                           yFract="0.00186137"
                           z3="6.39741"
                           zFract="0.28791224"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20352"
                           xFract="0.49804739"
                           y3="6.32341"
                           yFract="0.74921919"
                           z3="4.22759"
                           zFract="0.19026058"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00189"
                           xFract="-0.00022393"
                           y3="2.10555"
                           yFract="0.24947275"
                           z3="8.47128"
                           zFract="0.38124572"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.10557"
                           xFract="0.24947512"
                           y3="4.21211"
                           yFract="0.49906517"
                           z3="8.42893"
                           zFract="0.37933978"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32303"
                           xFract="0.74917417"
                           y3="6.32229"
                           yFract="0.74908649"
                           z3="6.37855"
                           zFract="0.28706346"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.21679"
                           xFract="0.49961967"
                           y3="2.10546"
                           yFract="0.24946209"
                           z3="8.48699"
                           zFract="0.38195275"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.10621"
                           xFract="0.01258412"
                           y3="2.11234"
                           yFract="0.25027725"
                           z3="6.34468"
                           zFract="0.28553915"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06227"
                           xFract="0.24434479"
                           y3="-0.17392"
                           yFract="-0.02060664"
                           z3="6.34173"
                           zFract="0.28540639"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.00829"
                           xFract="0.00098223"
                           y3="0.19897"
                           yFract="0.02357464"
                           z3="4.26235"
                           zFract="0.19182493"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00248"
                           xFract="0.00029384"
                           y3="-0.00448"
                           yFract="-0.00053081"
                           z3="8.50352"
                           zFract="0.38269667"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.93887"
                           xFract="0.22972393"
                           y3="2.1828"
                           yFract="0.25862559"
                           z3="4.16559"
                           zFract="0.1874703"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13628"
                           xFract="0.25311374"
                           y3="2.08563"
                           yFract="0.24711256"
                           z3="8.51992"
                           zFract="0.38343474"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.10674"
                           xFract="0.48658057"
                           y3="2.00961"
                           yFract="0.23810545"
                           z3="6.24223"
                           zFract="0.28092844"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.36633"
                           xFract="0.7543045"
                           y3="-0.01705"
                           yFract="-0.00202014"
                           z3="6.38523"
                           zFract="0.28736409"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.23929"
                           xFract="0.50228555"
                           y3="0.02015"
                           yFract="0.00238744"
                           z3="4.12974"
                           zFract="0.18585689"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21119"
                           xFract="0.49895616"
                           y3="-0.02384"
                           yFract="-0.00282464"
                           z3="8.54676"
                           zFract="0.38464266"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.51741"
                           xFract="0.77220498"
                           y3="2.14584"
                           yFract="0.25424645"
                           z3="4.26529"
                           zFract="0.19195725"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30272"
                           xFract="0.74676777"
                           y3="2.11335"
                           yFract="0.25039692"
                           z3="8.54977"
                           zFract="0.38477813"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.03491"
                           xFract="0.00413626"
                           y3="6.33329"
                           yFract="0.75038981"
                           z3="6.34305"
                           zFract="0.2854658"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.09592"
                           xFract="0.24833175"
                           y3="4.35346"
                           yFract="0.5158128"
                           z3="6.29023"
                           zFract="0.28308866"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="-0.00024"
                           xFract="-0.00002844"
                           y3="4.09152"
                           yFract="0.48477725"
                           z3="4.21545"
                           zFract="0.18971422"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01721"
                           xFract="-0.0020391"
                           y3="4.21776"
                           yFract="0.4997346"
                           z3="8.44805"
                           zFract="0.38020027"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.06306"
                           xFract="0.24443839"
                           y3="6.24879"
                           yFract="0.74037796"
                           z3="4.27956"
                           zFract="0.19259946"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10229"
                           xFract="0.24908649"
                           y3="6.32573"
                           yFract="0.74949408"
                           z3="8.4046"
                           zFract="0.37824482"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.16927"
                           xFract="0.49398934"
                           y3="6.42476"
                           yFract="0.76122749"
                           z3="6.34162"
                           zFract="0.28540144"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.36951"
                           xFract="0.75468128"
                           y3="4.24468"
                           yFract="0.50292417"
                           z3="6.34648"
                           zFract="0.28562016"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.24243"
                           xFract="0.50265758"
                           y3="4.19326"
                           yFract="0.49683175"
                           z3="4.26483"
                           zFract="0.19193654"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23006"
                           xFract="0.50119194"
                           y3="4.23918"
                           yFract="0.50227251"
                           z3="8.4623"
                           zFract="0.38084158"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3695"
                           xFract="0.75468009"
                           y3="6.32381"
                           yFract="0.74926659"
                           z3="4.21144"
                           zFract="0.18953375"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32686"
                           xFract="0.74962796"
                           y3="6.32475"
                           yFract="0.74937796"
                           z3="8.5543"
                           zFract="0.384982"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.22">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.0118"
                           xFract="0.0013981"
                           y3="0.01078"
                           yFract="0.00127725"
                           z3="6.36078"
                           zFract="0.28626373"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23029"
                           xFract="0.50121919"
                           y3="6.31745"
                           yFract="0.74851303"
                           z3="8.4125"
                           zFract="0.37860036"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.09844"
                           xFract="0.24863033"
                           y3="6.31073"
                           yFract="0.74771682"
                           z3="6.34754"
                           zFract="0.28566787"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34789"
                           xFract="0.75211967"
                           y3="4.21892"
                           yFract="0.49987204"
                           z3="4.22843"
                           zFract="0.19029838"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01694"
                           xFract="0.00200711"
                           y3="2.13921"
                           yFract="0.2534609"
                           z3="4.21955"
                           zFract="0.18989874"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01825"
                           xFract="-0.00216232"
                           y3="6.32147"
                           yFract="0.74898934"
                           z3="8.41873"
                           zFract="0.37888074"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.00971"
                           xFract="0.00115047"
                           y3="4.20338"
                           yFract="0.49803081"
                           z3="6.32101"
                           zFract="0.2844739"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3341"
                           xFract="0.75048578"
                           y3="-0.01704"
                           yFract="-0.00201896"
                           z3="8.46588"
                           zFract="0.3810027"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09832"
                           xFract="0.24861611"
                           y3="-0.02816"
                           yFract="-0.00333649"
                           z3="8.42302"
                           zFract="0.37907381"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32578"
                           xFract="0.7495"
                           y3="4.23072"
                           yFract="0.50127014"
                           z3="8.43895"
                           zFract="0.37979073"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.12997"
                           xFract="0.25236611"
                           y3="4.20923"
                           yFract="0.49872393"
                           z3="4.20801"
                           zFract="0.18937939"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.12603"
                           xFract="0.25189929"
                           y3="0.02247"
                           yFract="0.00266232"
                           z3="4.24148"
                           zFract="0.19088569"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.00979"
                           xFract="0.00115995"
                           y3="6.34159"
                           yFract="0.75137322"
                           z3="4.21302"
                           zFract="0.18960486"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.23288"
                           xFract="0.50152607"
                           y3="4.17769"
                           yFract="0.49498697"
                           z3="6.35501"
                           zFract="0.28600405"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3214"
                           xFract="0.74898104"
                           y3="2.12102"
                           yFract="0.25130569"
                           z3="6.37738"
                           zFract="0.2870108"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.10734"
                           xFract="0.24968483"
                           y3="2.09554"
                           yFract="0.24828673"
                           z3="6.3167"
                           zFract="0.28427993"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21767"
                           xFract="0.49972393"
                           y3="2.10572"
                           yFract="0.24949289"
                           z3="4.18828"
                           zFract="0.18849145"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.34723"
                           xFract="0.75204147"
                           y3="0.02188"
                           yFract="0.00259242"
                           z3="4.27705"
                           zFract="0.1924865"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.21332"
                           xFract="0.49920853"
                           y3="0.01565"
                           yFract="0.00185427"
                           z3="6.39719"
                           zFract="0.28790234"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20376"
                           xFract="0.49807583"
                           y3="6.32356"
                           yFract="0.74923697"
                           z3="4.22734"
                           zFract="0.19024932"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00184"
                           xFract="-0.00021801"
                           y3="2.1056"
                           yFract="0.24947867"
                           z3="8.47152"
                           zFract="0.38125653"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.10574"
                           xFract="0.24949526"
                           y3="4.2117"
                           yFract="0.49901659"
                           z3="8.42896"
                           zFract="0.37934113"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32299"
                           xFract="0.74916943"
                           y3="6.32243"
                           yFract="0.74910308"
                           z3="6.37851"
                           zFract="0.28706166"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.21663"
                           xFract="0.49960071"
                           y3="2.10533"
                           yFract="0.24944668"
                           z3="8.48703"
                           zFract="0.38195455"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.10758"
                           xFract="0.01274645"
                           y3="2.11258"
                           yFract="0.25030569"
                           z3="6.34487"
                           zFract="0.2855477"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06201"
                           xFract="0.24431398"
                           y3="-0.17472"
                           yFract="-0.02070142"
                           z3="6.34224"
                           zFract="0.28542934"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0079"
                           xFract="0.00093602"
                           y3="0.19912"
                           yFract="0.02359242"
                           z3="4.26268"
                           zFract="0.19183978"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00271"
                           xFract="0.00032109"
                           y3="-0.00419"
                           yFract="-0.00049645"
                           z3="8.50435"
                           zFract="0.38273402"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.93821"
                           xFract="0.22964573"
                           y3="2.18288"
                           yFract="0.25863507"
                           z3="4.16495"
                           zFract="0.18744149"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13629"
                           xFract="0.25311493"
                           y3="2.08518"
                           yFract="0.24705924"
                           z3="8.5211"
                           zFract="0.38348785"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.10476"
                           xFract="0.48634597"
                           y3="2.00892"
                           yFract="0.2380237"
                           z3="6.24239"
                           zFract="0.28093564"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3667"
                           xFract="0.75434834"
                           y3="-0.01608"
                           yFract="-0.00190521"
                           z3="6.3860"
                           zFract="0.28739874"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.23981"
                           xFract="0.50234716"
                           y3="0.01987"
                           yFract="0.00235427"
                           z3="4.12923"
                           zFract="0.18583393"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21099"
                           xFract="0.49893246"
                           y3="-0.02443"
                           yFract="-0.00289455"
                           z3="8.54742"
                           zFract="0.38467237"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.5172"
                           xFract="0.77218009"
                           y3="2.14588"
                           yFract="0.25425118"
                           z3="4.26635"
                           zFract="0.19200495"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30258"
                           xFract="0.74675118"
                           y3="2.11334"
                           yFract="0.25039573"
                           z3="8.54983"
                           zFract="0.38478083"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.03432"
                           xFract="0.00406635"
                           y3="6.33327"
                           yFract="0.75038744"
                           z3="6.34341"
                           zFract="0.285482"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.09601"
                           xFract="0.24834242"
                           y3="4.3543"
                           yFract="0.51591232"
                           z3="6.29015"
                           zFract="0.28308506"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="-0.00011"
                           xFract="-0.00001303"
                           y3="4.09162"
                           yFract="0.4847891"
                           z3="4.21521"
                           zFract="0.18970342"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01733"
                           xFract="-0.00205332"
                           y3="4.21719"
                           yFract="0.49966706"
                           z3="8.44878"
                           zFract="0.38023312"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.06307"
                           xFract="0.24443957"
                           y3="6.24875"
                           yFract="0.74037322"
                           z3="4.28036"
                           zFract="0.19263546"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10209"
                           xFract="0.2490628"
                           y3="6.32573"
                           yFract="0.74949408"
                           z3="8.40336"
                           zFract="0.37818902"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.1698"
                           xFract="0.49405213"
                           y3="6.42491"
                           yFract="0.76124526"
                           z3="6.34177"
                           zFract="0.28540819"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.36977"
                           xFract="0.75471209"
                           y3="4.24358"
                           yFract="0.50279384"
                           z3="6.34736"
                           zFract="0.28565977"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.24247"
                           xFract="0.50266232"
                           y3="4.19359"
                           yFract="0.49687085"
                           z3="4.26524"
                           zFract="0.191955"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23014"
                           xFract="0.50120142"
                           y3="4.23929"
                           yFract="0.50228555"
                           z3="8.46233"
                           zFract="0.38084293"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.36936"
                           xFract="0.75466351"
                           y3="6.32372"
                           yFract="0.74925592"
                           z3="4.21204"
                           zFract="0.18956076"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32693"
                           xFract="0.74963626"
                           y3="6.32473"
                           yFract="0.74937559"
                           z3="8.55422"
                           zFract="0.3849784"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.23">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                           id="a1"
                           x3="0.01403"
                           xFract="0.00166232"
                           y3="0.01054"
                           yFract="0.00124882"
                           z3="6.36279"
                           zFract="0.28635419"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23004"
                           xFract="0.50118957"
                           y3="6.31673"
                           yFract="0.74842773"
                           z3="8.41394"
                           zFract="0.37866517"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.09731"
                           xFract="0.24849645"
                           y3="6.31108"
                           yFract="0.74775829"
                           z3="6.34842"
                           zFract="0.28570747"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34906"
                           xFract="0.75225829"
                           y3="4.21637"
                           yFract="0.49956991"
                           z3="4.22966"
                           zFract="0.19035374"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01113"
                           xFract="0.00131872"
                           y3="2.14218"
                           yFract="0.2538128"
                           z3="4.21782"
                           zFract="0.18982088"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01838"
                           xFract="-0.00217773"
                           y3="6.31943"
                           yFract="0.74874763"
                           z3="8.42186"
                           zFract="0.3790216"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.00966"
                           xFract="0.00114455"
                           y3="4.20159"
                           yFract="0.49781872"
                           z3="6.31992"
                           zFract="0.28442484"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33417"
                           xFract="0.75049408"
                           y3="-0.01666"
                           yFract="-0.00197393"
                           z3="8.46793"
                           zFract="0.38109496"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.0992"
                           xFract="0.24872038"
                           y3="-0.02843"
                           yFract="-0.00336848"
                           z3="8.42674"
                           zFract="0.37924122"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32538"
                           xFract="0.74945261"
                           y3="4.23005"
                           yFract="0.50119076"
                           z3="8.44122"
                           zFract="0.37989289"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.12899"
                           xFract="0.25225"
                           y3="4.20897"
                           yFract="0.49869313"
                           z3="4.20747"
                           zFract="0.18935509"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.12625"
                           xFract="0.25192536"
                           y3="0.0264"
                           yFract="0.00312796"
                           z3="4.24416"
                           zFract="0.1910063"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="0.0102"
                           xFract="0.00120853"
                           y3="6.34115"
                           yFract="0.75132109"
                           z3="4.21757"
                           zFract="0.18980963"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.23333"
                           xFract="0.50157938"
                           y3="4.17632"
                           yFract="0.49482464"
                           z3="6.35338"
                           zFract="0.28593069"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32236"
                           xFract="0.74909479"
                           y3="2.12255"
                           yFract="0.25148697"
                           z3="6.38126"
                           zFract="0.28718542"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="2.10815"
                           xFract="0.24978081"
                           y3="2.09387"
                           yFract="0.24808886"
                           z3="6.31876"
                           zFract="0.28437264"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21783"
                           xFract="0.49974289"
                           y3="2.1061"
                           yFract="0.24953791"
                           z3="4.19128"
                           zFract="0.18862646"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.34914"
                           xFract="0.75226777"
                           y3="0.02388"
                           yFract="0.00282938"
                           z3="4.27935"
                           zFract="0.19259001"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2123"
                           xFract="0.49908768"
                           y3="0.01385"
                           yFract="0.001641"
                           z3="6.39622"
                           zFract="0.28785869"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20414"
                           xFract="0.49812085"
                           y3="6.32432"
                           yFract="0.74932701"
                           z3="4.22782"
                           zFract="0.19027093"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00166"
                           xFract="-0.00019668"
                           y3="2.10492"
                           yFract="0.2493981"
                           z3="8.47455"
                           zFract="0.38139289"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.10631"
                           xFract="0.2495628"
                           y3="4.20812"
                           yFract="0.49859242"
                           z3="8.43039"
                           zFract="0.37940549"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32368"
                           xFract="0.74925118"
                           y3="6.3222"
                           yFract="0.74907583"
                           z3="6.37672"
                           zFract="0.2869811"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.21533"
                           xFract="0.49944668"
                           y3="2.10345"
                           yFract="0.24922393"
                           z3="8.48744"
                           zFract="0.381973"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.11589"
                           xFract="0.01373104"
                           y3="2.11462"
                           yFract="0.25054739"
                           z3="6.34662"
                           zFract="0.28562646"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06067"
                           xFract="0.24415521"
                           y3="-0.18019"
                           yFract="-0.02134953"
                           z3="6.34478"
                           zFract="0.28554365"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.00566"
                           xFract="0.00067062"
                           y3="0.19729"
                           yFract="0.02337559"
                           z3="4.26248"
                           zFract="0.19183078"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00358"
                           xFract="0.00042417"
                           y3="-0.00275"
                           yFract="-0.00032583"
                           z3="8.50996"
                           zFract="0.3829865"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.93885"
                           xFract="0.22972156"
                           y3="2.18195"
                           yFract="0.25852488"
                           z3="4.15871"
                           zFract="0.18716067"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13605"
                           xFract="0.25308649"
                           y3="2.08352"
                           yFract="0.24686256"
                           z3="8.52965"
                           zFract="0.38387264"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.09406"
                           xFract="0.4850782"
                           y3="2.00758"
                           yFract="0.23786493"
                           z3="6.24327"
                           zFract="0.28097525"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.36784"
                           xFract="0.75448341"
                           y3="-0.00972"
                           yFract="-0.00115166"
                           z3="6.39065"
                           zFract="0.28760801"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.24377"
                           xFract="0.50281635"
                           y3="0.0192"
                           yFract="0.00227488"
                           z3="4.12624"
                           zFract="0.18569937"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21039"
                           xFract="0.49886137"
                           y3="-0.02764"
                           yFract="-0.00327488"
                           z3="8.55081"
                           zFract="0.38482493"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.51918"
                           xFract="0.77241469"
                           y3="2.14582"
                           yFract="0.25424408"
                           z3="4.27129"
                           zFract="0.19222727"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30107"
                           xFract="0.74657227"
                           y3="2.11299"
                           yFract="0.25035427"
                           z3="8.55033"
                           zFract="0.38480333"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.02934"
                           xFract="0.0034763"
                           y3="6.33231"
                           yFract="0.7502737"
                           z3="6.34605"
                           zFract="0.28560081"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.09532"
                           xFract="0.24826066"
                           y3="4.35756"
                           yFract="0.51629858"
                           z3="6.29086"
                           zFract="0.28311701"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.00209"
                           xFract="0.00024763"
                           y3="4.09213"
                           yFract="0.48484953"
                           z3="4.21472"
                           zFract="0.18968137"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01585"
                           xFract="-0.00187796"
                           y3="4.21305"
                           yFract="0.49917654"
                           z3="8.45227"
                           zFract="0.38039019"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.06248"
                           xFract="0.24436967"
                           y3="6.24912"
                           yFract="0.74041706"
                           z3="4.28621"
                           zFract="0.19289874"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10055"
                           xFract="0.24888033"
                           y3="6.32454"
                           yFract="0.74935308"
                           z3="8.39475"
                           zFract="0.37780153"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.17471"
                           xFract="0.49463389"
                           y3="6.42487"
                           yFract="0.76124052"
                           z3="6.34465"
                           zFract="0.2855378"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.37135"
                           xFract="0.75489929"
                           y3="4.23757"
                           yFract="0.50208175"
                           z3="6.35133"
                           zFract="0.28583843"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.24247"
                           xFract="0.50266232"
                           y3="4.19377"
                           yFract="0.49689218"
                           z3="4.26765"
                           zFract="0.19206346"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22953"
                           xFract="0.50112915"
                           y3="4.23839"
                           yFract="0.50217891"
                           z3="8.46367"
                           zFract="0.38090324"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3704"
                           xFract="0.75478673"
                           y3="6.32249"
                           yFract="0.74911019"
                           z3="4.21465"
                           zFract="0.18967822"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3277"
                           xFract="0.74972749"
                           y3="6.32393"
                           yFract="0.74928081"
                           z3="8.55235"
                           zFract="0.38489424"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a42" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a47" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a43" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a66" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a41" order="S"/>
                     <bond atomRefs2="a6 a42" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a62" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a7 a70" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a51" order="S"/>
                     <bond atomRefs2="a9 a58" order="S"/>
                     <bond atomRefs2="a9 a53" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a11 a66" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a75" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a55" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a44" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a73" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a80" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a60" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a62" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a68" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a76" order="S"/>
                     <bond atomRefs2="a30 a51" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a57" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a68" order="S"/>
                     <bond atomRefs2="a33 a63" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a69" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a47" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a70" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="80">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="80">0.001 0.001 0.010 -0.001 0.001 -0.006 0.008 0.000 0.009 0.007 -0.000 0.002 0.005 0.003 -0.002 -0.001 -0.001 -0.000 0.001 0.001 0.000 0.003 -0.001 0.002 -0.004 0.004 0.005 -0.000 0.001 0.001 0.004 0.003 0.008 -0.001 0.007 0.006 -0.002 0.002 0.002 0.007 0.004 -0.001 0.007 0.004 0.006 0.003 0.008 0.009 0.001 -0.001 0.004 -0.004 0.010 0.003 0.005 0.000 0.004 0.006 0.003 -0.000 -0.000 0.012 0.006 0.004 0.005 0.004 0.004 0.002 0.003 0.011 0.001 0.010 0.007 0.006 0.002 0.003 0.006 0.002 0.003 0.008</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="80">-0.000 -0.002 0.014 -0.002 -0.001 0.003 0.014 -0.002 0.010 0.002 0.001 0.004 0.007 0.005 -0.004 -0.000 -0.001 0.000 0.001 0.002 0.001 0.001 -0.001 -0.000 -0.002 -0.001 -0.001 0.004 0.001 0.002 0.006 0.007 0.009 -0.001 0.004 0.008 -0.001 0.002 0.003 0.005 0.085 -0.063 0.070 -0.003 0.054 0.029 0.109 0.125 -0.039 -0.038 -0.063 -0.104 0.151 0.018 0.052 -0.034 0.049 0.054 0.004 -0.028 -0.075 0.175 0.081 0.025 0.062 0.062 0.048 0.025 -0.004 0.131 -0.025 0.131 0.094 0.062 0.028 0.079 0.092 0.010 0.020 0.100</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="80">1.508 1.133 1.457 0.942 1.503 -0.545 1.399 1.332 1.494 0.997 0.000 0.002 0.002 0.001 -0.002 -0.000 -0.001 0.000 0.000 0.001 -0.454 -0.243 0.336 -0.431 0.554 -0.357 -0.377 -0.402 -0.366 -0.004 0.005 0.007 0.007 -0.005 0.002 0.012 -0.000 0.001 0.003 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 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="v:coefftotal" size="80">1.509 1.132 1.481 0.938 1.503 -0.548 1.421 1.330 1.512 1.007 0.002 0.008 0.015 0.010 -0.007 -0.001 -0.003 0.000 0.002 0.004 -0.453 -0.239 0.334 -0.429 0.547 -0.354 -0.373 -0.398 -0.365 0.000 0.016 0.016 0.024 -0.007 0.014 0.026 -0.003 0.005 0.009 0.017 0.089 -0.064 0.077 0.001 0.060 0.032 0.117 0.134 -0.038 -0.039 -0.059 -0.107 0.161 0.021 0.057 -0.034 0.053 0.060 0.006 -0.029 -0.075 0.186 0.087 0.029 0.067 0.066 0.052 0.027 -0.000 0.143 -0.024 0.141 0.101 0.068 0.030 0.083 0.098 0.013 0.024 0.109</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.254</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">1.647</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">9.520</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">11.421</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-422.17522375</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-422.16580190</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-422.17051282</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.5418</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2472042E-02</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</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="Ni"
                        id="a1"
                        x3="0.01403"
                        xFract="0.00166232"
                        y3="0.01054"
                        yFract="0.00124882"
                        z3="6.36279"
                        zFract="0.28635419"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="4.23004"
                        xFract="0.50118957"
                        y3="6.31673"
                        yFract="0.74842773"
                        z3="8.41394"
                        zFract="0.37866517"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="2.09731"
                        xFract="0.24849645"
                        y3="6.31108"
                        yFract="0.74775829"
                        z3="6.34842"
                        zFract="0.28570747"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.34906"
                        xFract="0.75225829"
                        y3="4.21637"
                        yFract="0.49956991"
                        z3="4.22966"
                        zFract="0.19035374"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="0.01113"
                        xFract="0.00131872"
                        y3="2.14218"
                        yFract="0.2538128"
                        z3="4.21782"
                        zFract="0.18982088"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="-0.01838"
                        xFract="-0.00217773"
                        y3="6.31943"
                        yFract="0.74874763"
                        z3="8.42186"
                        zFract="0.3790216"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="0.00966"
                        xFract="0.00114455"
                        y3="4.20159"
                        yFract="0.49781872"
                        z3="6.31992"
                        zFract="0.28442484"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="6.33417"
                        xFract="0.75049408"
                        y3="-0.01666"
                        yFract="-0.00197393"
                        z3="8.46793"
                        zFract="0.38109496"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.0992"
                        xFract="0.24872038"
                        y3="-0.02843"
                        yFract="-0.00336848"
                        z3="8.42674"
                        zFract="0.37924122"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="6.32538"
                        xFract="0.74945261"
                        y3="4.23005"
                        yFract="0.50119076"
                        z3="8.44122"
                        zFract="0.37989289"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.12899"
                        xFract="0.25225"
                        y3="4.20897"
                        yFract="0.49869313"
                        z3="4.20747"
                        zFract="0.18935509"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="2.12625"
                        xFract="0.25192536"
                        y3="0.0264"
                        yFract="0.00312796"
                        z3="4.24416"
                        zFract="0.1910063"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="0.0102"
                        xFract="0.00120853"
                        y3="6.34115"
                        yFract="0.75132109"
                        z3="4.21757"
                        zFract="0.18980963"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="4.23333"
                        xFract="0.50157938"
                        y3="4.17632"
                        yFract="0.49482464"
                        z3="6.35338"
                        zFract="0.28593069"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.32236"
                        xFract="0.74909479"
                        y3="2.12255"
                        yFract="0.25148697"
                        z3="6.38126"
                        zFract="0.28718542"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.10815"
                        xFract="0.24978081"
                        y3="2.09387"
                        yFract="0.24808886"
                        z3="6.31876"
                        zFract="0.28437264"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.21783"
                        xFract="0.49974289"
                        y3="2.1061"
                        yFract="0.24953791"
                        z3="4.19128"
                        zFract="0.18862646"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="6.34914"
                        xFract="0.75226777"
                        y3="0.02388"
                        yFract="0.00282938"
                        z3="4.27935"
                        zFract="0.19259001"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="4.2123"
                        xFract="0.49908768"
                        y3="0.01385"
                        yFract="0.001641"
                        z3="6.39622"
                        zFract="0.28785869"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="4.20414"
                        xFract="0.49812085"
                        y3="6.32432"
                        yFract="0.74932701"
                        z3="4.22782"
                        zFract="0.19027093"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="-0.00166"
                        xFract="-0.00019668"
                        y3="2.10492"
                        yFract="0.2493981"
                        z3="8.47455"
                        zFract="0.38139289"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="2.10631"
                        xFract="0.2495628"
                        y3="4.20812"
                        yFract="0.49859242"
                        z3="8.43039"
                        zFract="0.37940549"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="6.32368"
                        xFract="0.74925118"
                        y3="6.3222"
                        yFract="0.74907583"
                        z3="6.37672"
                        zFract="0.2869811"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="4.21533"
                        xFract="0.49944668"
                        y3="2.10345"
                        yFract="0.24922393"
                        z3="8.48744"
                        zFract="0.381973"/>
                  <atom elementType="O"
                        id="a41"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.11589"
                        xFract="0.01373104"
                        y3="2.11462"
                        yFract="0.25054739"
                        z3="6.34662"
                        zFract="0.28562646"/>
                  <atom elementType="O"
                        id="a43"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.06067"
                        xFract="0.24415521"
                        y3="-0.18019"
                        yFract="-0.02134953"
                        z3="6.34478"
                        zFract="0.28554365"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.00566"
                        xFract="0.00067062"
                        y3="0.19729"
                        yFract="0.02337559"
                        z3="4.26248"
                        zFract="0.19183078"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.00358"
                        xFract="0.00042417"
                        y3="-0.00275"
                        yFract="-0.00032583"
                        z3="8.50996"
                        zFract="0.3829865"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a49"
                        x3="1.93885"
                        xFract="0.22972156"
                        y3="2.18195"
                        yFract="0.25852488"
                        z3="4.15871"
                        zFract="0.18716067"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.13605"
                        xFract="0.25308649"
                        y3="2.08352"
                        yFract="0.24686256"
                        z3="8.52965"
                        zFract="0.38387264"/>
                  <atom elementType="O"
                        id="a51"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.09406"
                        xFract="0.4850782"
                        y3="2.00758"
                        yFract="0.23786493"
                        z3="6.24327"
                        zFract="0.28097525"/>
                  <atom elementType="O"
                        id="a53"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.36784"
                        xFract="0.75448341"
                        y3="-0.00972"
                        yFract="-0.00115166"
                        z3="6.39065"
                        zFract="0.28760801"/>
                  <atom elementType="O"
                        id="a55"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.24377"
                        xFract="0.50281635"
                        y3="0.0192"
                        yFract="0.00227488"
                        z3="4.12624"
                        zFract="0.18569937"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.21039"
                        xFract="0.49886137"
                        y3="-0.02764"
                        yFract="-0.00327488"
                        z3="8.55081"
                        zFract="0.38482493"/>
                  <atom elementType="O"
                        id="a58"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.51918"
                        xFract="0.77241469"
                        y3="2.14582"
                        yFract="0.25424408"
                        z3="4.27129"
                        zFract="0.19222727"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.30107"
                        xFract="0.74657227"
                        y3="2.11299"
                        yFract="0.25035427"
                        z3="8.55033"
                        zFract="0.38480333"/>
                  <atom elementType="O"
                        id="a61"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.02934"
                        xFract="0.0034763"
                        y3="6.33231"
                        yFract="0.7502737"
                        z3="6.34605"
                        zFract="0.28560081"/>
                  <atom elementType="O"
                        id="a63"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.09532"
                        xFract="0.24826066"
                        y3="4.35756"
                        yFract="0.51629858"
                        z3="6.29086"
                        zFract="0.28311701"/>
                  <atom elementType="O"
                        id="a65"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.00209"
                        xFract="0.00024763"
                        y3="4.09213"
                        yFract="0.48484953"
                        z3="4.21472"
                        zFract="0.18968137"/>
                  <atom elementType="O"
                        id="a67"
                        x3="-0.01585"
                        xFract="-0.00187796"
                        y3="4.21305"
                        yFract="0.49917654"
                        z3="8.45227"
                        zFract="0.38039019"/>
                  <atom elementType="O"
                        id="a68"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.06248"
                        xFract="0.24436967"
                        y3="6.24912"
                        yFract="0.74041706"
                        z3="4.28621"
                        zFract="0.19289874"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.10055"
                        xFract="0.24888033"
                        y3="6.32454"
                        yFract="0.74935308"
                        z3="8.39475"
                        zFract="0.37780153"/>
                  <atom elementType="O"
                        id="a71"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.17471"
                        xFract="0.49463389"
                        y3="6.42487"
                        yFract="0.76124052"
                        z3="6.34465"
                        zFract="0.2855378"/>
                  <atom elementType="O"
                        id="a73"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.37135"
                        xFract="0.75489929"
                        y3="4.23757"
                        yFract="0.50208175"
                        z3="6.35133"
                        zFract="0.28583843"/>
                  <atom elementType="O"
                        id="a75"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.24247"
                        xFract="0.50266232"
                        y3="4.19377"
                        yFract="0.49689218"
                        z3="4.26765"
                        zFract="0.19206346"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.22953"
                        xFract="0.50112915"
                        y3="4.23839"
                        yFract="0.50217891"
                        z3="8.46367"
                        zFract="0.38090324"/>
                  <atom elementType="O"
                        id="a78"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3704"
                        xFract="0.75478673"
                        y3="6.32249"
                        yFract="0.74911019"
                        z3="4.21465"
                        zFract="0.18967822"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.3277"
                        xFract="0.74972749"
                        y3="6.32393"
                        yFract="0.74928081"
                        z3="8.55235"
                        zFract="0.38489424"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a42" order="S"/>
                  <bond atomRefs2="a1 a46" order="S"/>
                  <bond atomRefs2="a1 a47" order="S"/>
                  <bond atomRefs2="a1 a44" order="S"/>
                  <bond atomRefs2="a2 a56" order="S"/>
                  <bond atomRefs2="a2 a55" order="S"/>
                  <bond atomRefs2="a2 a51" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a2 a43" order="S"/>
                  <bond atomRefs2="a3 a72" order="S"/>
                  <bond atomRefs2="a3 a77" order="S"/>
                  <bond atomRefs2="a3 a80" order="S"/>
                  <bond atomRefs2="a3 a70" order="S"/>
                  <bond atomRefs2="a4 a69" order="S"/>
                  <bond atomRefs2="a4 a70" order="S"/>
                  <bond atomRefs2="a4 a64" order="S"/>
                  <bond atomRefs2="a4 a62" order="S"/>
                  <bond atomRefs2="a4 a72" order="S"/>
                  <bond atomRefs2="a5 a74" order="S"/>
                  <bond atomRefs2="a5 a76" order="S"/>
                  <bond atomRefs2="a5 a79" order="S"/>
                  <bond atomRefs2="a5 a73" order="S"/>
                  <bond atomRefs2="a5 a59" order="S"/>
                  <bond atomRefs2="a6 a66" order="S"/>
                  <bond atomRefs2="a6 a49" order="S"/>
                  <bond atomRefs2="a6 a41" order="S"/>
                  <bond atomRefs2="a6 a42" order="S"/>
                  <bond atomRefs2="a6 a46" order="S"/>
                  <bond atomRefs2="a7 a62" order="S"/>
                  <bond atomRefs2="a7 a67" order="S"/>
                  <bond atomRefs2="a7 a70" order="S"/>
                  <bond atomRefs2="a8 a49" order="S"/>
                  <bond atomRefs2="a8 a48" order="S"/>
                  <bond atomRefs2="a8 a43" order="S"/>
                  <bond atomRefs2="a8 a41" order="S"/>
                  <bond atomRefs2="a8 a63" order="S"/>
                  <bond atomRefs2="a8 a51" order="S"/>
                  <bond atomRefs2="a9 a58" order="S"/>
                  <bond atomRefs2="a9 a53" order="S"/>
                  <bond atomRefs2="a9 a55" order="S"/>
                  <bond atomRefs2="a10 a41" order="S"/>
                  <bond atomRefs2="a10 a45" order="S"/>
                  <bond atomRefs2="a10 a48" order="S"/>
                  <bond atomRefs2="a10 a65" order="S"/>
                  <bond atomRefs2="a11 a66" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a11 a61" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a63" order="S"/>
                  <bond atomRefs2="a11 a41" order="S"/>
                  <bond atomRefs2="a12 a66" order="S"/>
                  <bond atomRefs2="a12 a67" order="S"/>
                  <bond atomRefs2="a12 a62" order="S"/>
                  <bond atomRefs2="a12 a64" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a12 a42" order="S"/>
                  <bond atomRefs2="a13 a78" order="S"/>
                  <bond atomRefs2="a13 a73" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a75" order="S"/>
                  <bond atomRefs2="a13 a58" order="S"/>
                  <bond atomRefs2="a14 a48" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a45" order="S"/>
                  <bond atomRefs2="a14 a55" order="S"/>
                  <bond atomRefs2="a15 a71" order="S"/>
                  <bond atomRefs2="a15 a75" order="S"/>
                  <bond atomRefs2="a15 a78" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a68" order="S"/>
                  <bond atomRefs2="a16 a54" order="S"/>
                  <bond atomRefs2="a16 a57" order="S"/>
                  <bond atomRefs2="a16 a60" order="S"/>
                  <bond atomRefs2="a17 a50" order="S"/>
                  <bond atomRefs2="a17 a44" order="S"/>
                  <bond atomRefs2="a17 a47" order="S"/>
                  <bond atomRefs2="a17 a57" order="S"/>
                  <bond atomRefs2="a17 a32" order="S"/>
                  <bond atomRefs2="a18 a78" order="S"/>
                  <bond atomRefs2="a18 a79" order="S"/>
                  <bond atomRefs2="a18 a73" order="S"/>
                  <bond atomRefs2="a18 a71" order="S"/>
                  <bond atomRefs2="a19 a38" order="S"/>
                  <bond atomRefs2="a19 a74" order="S"/>
                  <bond atomRefs2="a19 a80" order="S"/>
                  <bond atomRefs2="a19 a77" order="S"/>
                  <bond atomRefs2="a19 a60" order="S"/>
                  <bond atomRefs2="a20 a66" order="S"/>
                  <bond atomRefs2="a20 a63" order="S"/>
                  <bond atomRefs2="a20 a69" order="S"/>
                  <bond atomRefs2="a20 a64" order="S"/>
                  <bond atomRefs2="a20 a49" order="S"/>
                  <bond atomRefs2="a20 a76" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a21 a46" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a22 a69" order="S"/>
                  <bond atomRefs2="a22 a62" order="S"/>
                  <bond atomRefs2="a22 a61" order="S"/>
                  <bond atomRefs2="a23 a52" order="S"/>
                  <bond atomRefs2="a23 a77" order="S"/>
                  <bond atomRefs2="a23 a76" order="S"/>
                  <bond atomRefs2="a23 a74" order="S"/>
                  <bond atomRefs2="a23 a64" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a24 a60" order="S"/>
                  <bond atomRefs2="a24 a74" order="S"/>
                  <bond atomRefs2="a25 a68" order="S"/>
                  <bond atomRefs2="a25 a63" order="S"/>
                  <bond atomRefs2="a25 a65" order="S"/>
                  <bond atomRefs2="a25 a48" order="S"/>
                  <bond atomRefs2="a25 a75" order="S"/>
                  <bond atomRefs2="a26 a51" order="S"/>
                  <bond atomRefs2="a26 a55" order="S"/>
                  <bond atomRefs2="a26 a58" order="S"/>
                  <bond atomRefs2="a26 a75" order="S"/>
                  <bond atomRefs2="a26 a48" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a27 a65" order="S"/>
                  <bond atomRefs2="a27 a68" order="S"/>
                  <bond atomRefs2="a28 a52" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a28 a49" order="S"/>
                  <bond atomRefs2="a29 a52" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a29 a76" order="S"/>
                  <bond atomRefs2="a30 a75" order="S"/>
                  <bond atomRefs2="a30 a71" order="S"/>
                  <bond atomRefs2="a30 a73" order="S"/>
                  <bond atomRefs2="a30 a76" order="S"/>
                  <bond atomRefs2="a30 a51" order="S"/>
                  <bond atomRefs2="a30 a63" order="S"/>
                  <bond atomRefs2="a31 a59" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a56" order="S"/>
                  <bond atomRefs2="a31 a53" order="S"/>
                  <bond atomRefs2="a32 a52" order="S"/>
                  <bond atomRefs2="a32 a57" order="S"/>
                  <bond atomRefs2="a32 a54" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a68" order="S"/>
                  <bond atomRefs2="a33 a63" order="S"/>
                  <bond atomRefs2="a33 a61" order="S"/>
                  <bond atomRefs2="a33 a69" order="S"/>
                  <bond atomRefs2="a33 a71" order="S"/>
                  <bond atomRefs2="a34 a72" order="S"/>
                  <bond atomRefs2="a34 a76" order="S"/>
                  <bond atomRefs2="a34 a71" order="S"/>
                  <bond atomRefs2="a34 a79" order="S"/>
                  <bond atomRefs2="a34 a69" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a50" order="S"/>
                  <bond atomRefs2="a35 a67" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a41" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a36 a46" order="S"/>
                  <bond atomRefs2="a37 a64" order="S"/>
                  <bond atomRefs2="a37 a70" order="S"/>
                  <bond atomRefs2="a37 a67" order="S"/>
                  <bond atomRefs2="a37 a50" order="S"/>
                  <bond atomRefs2="a37 a77" order="S"/>
                  <bond atomRefs2="a38 a74" order="S"/>
                  <bond atomRefs2="a38 a80" order="S"/>
                  <bond atomRefs2="a38 a72" order="S"/>
                  <bond atomRefs2="a38 a79" order="S"/>
                  <bond atomRefs2="a39 a58" order="S"/>
                  <bond atomRefs2="a39 a53" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a39 a59" order="S"/>
                  <bond atomRefs2="a39 a73" order="S"/>
                  <bond atomRefs2="a40 a52" order="S"/>
                  <bond atomRefs2="a40 a60" order="S"/>
                  <bond atomRefs2="a40 a57" order="S"/>
                  <bond atomRefs2="a40 a77" order="S"/>
                  <bond atomRefs2="a40 a50" order="S"/>
               </bondArray>
               <formula concise="Cu10Mg10Ni10O40Zn10">
                  <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2759.510000000007</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
