<?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="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <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 a60" order="S"/>
                  <bond atomRefs2="a1 a54" order="S"/>
                  <bond atomRefs2="a1 a57" order="S"/>
                  <bond atomRefs2="a2 a73" order="S"/>
                  <bond atomRefs2="a2 a58" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a2 a51" order="S"/>
                  <bond atomRefs2="a2 a59" order="S"/>
                  <bond atomRefs2="a3 a78" order="S"/>
                  <bond atomRefs2="a3 a73" order="S"/>
                  <bond atomRefs2="a3 a71" order="S"/>
                  <bond atomRefs2="a3 a79" order="S"/>
                  <bond atomRefs2="a4 a62" order="S"/>
                  <bond atomRefs2="a4 a67" order="S"/>
                  <bond atomRefs2="a4 a64" order="S"/>
                  <bond atomRefs2="a4 a66" order="S"/>
                  <bond atomRefs2="a4 a42" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a5 a74" order="S"/>
                  <bond atomRefs2="a5 a59" order="S"/>
                  <bond atomRefs2="a5 a54" order="S"/>
                  <bond atomRefs2="a5 a52" order="S"/>
                  <bond atomRefs2="a6 a68" order="S"/>
                  <bond atomRefs2="a6 a61" order="S"/>
                  <bond atomRefs2="a6 a65" order="S"/>
                  <bond atomRefs2="a7 a68" order="S"/>
                  <bond atomRefs2="a7 a63" order="S"/>
                  <bond atomRefs2="a7 a61" order="S"/>
                  <bond atomRefs2="a7 a69" order="S"/>
                  <bond atomRefs2="a7 a71" order="S"/>
                  <bond atomRefs2="a8 a71" order="S"/>
                  <bond atomRefs2="a8 a75" order="S"/>
                  <bond atomRefs2="a8 a78" order="S"/>
                  <bond atomRefs2="a8 a68" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a9 a41" order="S"/>
                  <bond atomRefs2="a9 a45" order="S"/>
                  <bond atomRefs2="a9 a43" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a10 a50" order="S"/>
                  <bond atomRefs2="a10 a47" order="S"/>
                  <bond atomRefs2="a10 a57" order="S"/>
                  <bond atomRefs2="a11 a58" order="S"/>
                  <bond atomRefs2="a11 a53" order="S"/>
                  <bond atomRefs2="a11 a55" order="S"/>
                  <bond atomRefs2="a12 a79" order="S"/>
                  <bond atomRefs2="a12 a72" order="S"/>
                  <bond atomRefs2="a12 a17" order="S"/>
                  <bond atomRefs2="a12 a76" order="S"/>
                  <bond atomRefs2="a12 a71" order="S"/>
                  <bond atomRefs2="a12 a69" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a13 a47" order="S"/>
                  <bond atomRefs2="a13 a50" order="S"/>
                  <bond atomRefs2="a13 a67" order="S"/>
                  <bond atomRefs2="a14 a48" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a41" order="S"/>
                  <bond atomRefs2="a14 a49" order="S"/>
                  <bond atomRefs2="a14 a63" order="S"/>
                  <bond atomRefs2="a14 a51" order="S"/>
                  <bond atomRefs2="a15 a59" order="S"/>
                  <bond atomRefs2="a15 a54" order="S"/>
                  <bond atomRefs2="a15 a56" order="S"/>
                  <bond atomRefs2="a15 a53" order="S"/>
                  <bond atomRefs2="a16 a78" order="S"/>
                  <bond atomRefs2="a16 a73" order="S"/>
                  <bond atomRefs2="a16 a75" order="S"/>
                  <bond atomRefs2="a16 a58" order="S"/>
                  <bond atomRefs2="a17 a79" order="S"/>
                  <bond atomRefs2="a17 a80" order="S"/>
                  <bond atomRefs2="a17 a74" order="S"/>
                  <bond atomRefs2="a17 a72" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a18 a60" order="S"/>
                  <bond atomRefs2="a18 a77" order="S"/>
                  <bond atomRefs2="a18 a52" order="S"/>
                  <bond atomRefs2="a18 a57" order="S"/>
                  <bond atomRefs2="a18 a50" order="S"/>
                  <bond atomRefs2="a19 a62" order="S"/>
                  <bond atomRefs2="a19 a67" order="S"/>
                  <bond atomRefs2="a19 a70" order="S"/>
                  <bond atomRefs2="a20 a72" order="S"/>
                  <bond atomRefs2="a20 a77" order="S"/>
                  <bond atomRefs2="a20 a80" order="S"/>
                  <bond atomRefs2="a20 a70" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a21 a50" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a21 a42" order="S"/>
                  <bond atomRefs2="a21 a64" order="S"/>
                  <bond atomRefs2="a21 a52" order="S"/>
                  <bond atomRefs2="a22 a79" order="S"/>
                  <bond atomRefs2="a22 a74" order="S"/>
                  <bond atomRefs2="a22 a73" order="S"/>
                  <bond atomRefs2="a22 a76" order="S"/>
                  <bond atomRefs2="a22 a59" order="S"/>
                  <bond atomRefs2="a23 a64" order="S"/>
                  <bond atomRefs2="a23 a70" order="S"/>
                  <bond atomRefs2="a23 a67" order="S"/>
                  <bond atomRefs2="a23 a50" order="S"/>
                  <bond atomRefs2="a23 a77" order="S"/>
                  <bond atomRefs2="a24 a56" order="S"/>
                  <bond atomRefs2="a24 a53" order="S"/>
                  <bond atomRefs2="a24 a55" order="S"/>
                  <bond atomRefs2="a24 a51" order="S"/>
                  <bond atomRefs2="a24 a43" order="S"/>
                  <bond atomRefs2="a25 a72" order="S"/>
                  <bond atomRefs2="a25 a77" order="S"/>
                  <bond atomRefs2="a25 a74" order="S"/>
                  <bond atomRefs2="a25 a76" order="S"/>
                  <bond atomRefs2="a25 a52" order="S"/>
                  <bond atomRefs2="a25 a64" order="S"/>
                  <bond atomRefs2="a26 a66" order="S"/>
                  <bond atomRefs2="a26 a63" order="S"/>
                  <bond atomRefs2="a26 a65" order="S"/>
                  <bond atomRefs2="a26 a61" order="S"/>
                  <bond atomRefs2="a26 a41" order="S"/>
                  <bond atomRefs2="a27 a76" order="S"/>
                  <bond atomRefs2="a27 a59" order="S"/>
                  <bond atomRefs2="a27 a52" order="S"/>
                  <bond atomRefs2="a27 a56" order="S"/>
                  <bond atomRefs2="a27 a51" order="S"/>
                  <bond atomRefs2="a27 a49" order="S"/>
                  <bond atomRefs2="a28 a60" order="S"/>
                  <bond atomRefs2="a28 a74" order="S"/>
                  <bond atomRefs2="a28 a80" order="S"/>
                  <bond atomRefs2="a28 a77" order="S"/>
                  <bond atomRefs2="a29 a49" order="S"/>
                  <bond atomRefs2="a29 a44" order="S"/>
                  <bond atomRefs2="a29 a43" order="S"/>
                  <bond atomRefs2="a29 a46" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a30 a49" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a66" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a57" order="S"/>
                  <bond atomRefs2="a31 a52" order="S"/>
                  <bond atomRefs2="a31 a56" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a75" order="S"/>
                  <bond atomRefs2="a32 a58" order="S"/>
                  <bond atomRefs2="a32 a51" order="S"/>
                  <bond atomRefs2="a32 a55" order="S"/>
                  <bond atomRefs2="a32 a48" order="S"/>
                  <bond atomRefs2="a33 a69" order="S"/>
                  <bond atomRefs2="a33 a62" order="S"/>
                  <bond atomRefs2="a33 a66" order="S"/>
                  <bond atomRefs2="a33 a61" order="S"/>
                  <bond atomRefs2="a34 a41" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a48" order="S"/>
                  <bond atomRefs2="a34 a65" order="S"/>
                  <bond atomRefs2="a35 a68" order="S"/>
                  <bond atomRefs2="a35 a63" order="S"/>
                  <bond atomRefs2="a35 a65" order="S"/>
                  <bond atomRefs2="a35 a48" order="S"/>
                  <bond atomRefs2="a35 a75" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a55" order="S"/>
                  <bond atomRefs2="a37 a76" order="S"/>
                  <bond atomRefs2="a37 a71" order="S"/>
                  <bond atomRefs2="a37 a75" order="S"/>
                  <bond atomRefs2="a37 a73" order="S"/>
                  <bond atomRefs2="a37 a51" order="S"/>
                  <bond atomRefs2="a37 a63" order="S"/>
                  <bond atomRefs2="a38 a69" order="S"/>
                  <bond atomRefs2="a38 a64" order="S"/>
                  <bond atomRefs2="a38 a66" order="S"/>
                  <bond atomRefs2="a38 a63" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a38 a76" order="S"/>
                  <bond atomRefs2="a39 a69" order="S"/>
                  <bond atomRefs2="a39 a70" order="S"/>
                  <bond atomRefs2="a39 a64" order="S"/>
                  <bond atomRefs2="a39 a62" order="S"/>
                  <bond atomRefs2="a39 a72" order="S"/>
                  <bond atomRefs2="a40 a42" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a40 a46" 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="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <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 a60" order="S"/>
                  <bond atomRefs2="a1 a54" order="S"/>
                  <bond atomRefs2="a1 a57" order="S"/>
                  <bond atomRefs2="a2 a73" order="S"/>
                  <bond atomRefs2="a2 a58" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a2 a51" order="S"/>
                  <bond atomRefs2="a2 a59" order="S"/>
                  <bond atomRefs2="a3 a78" order="S"/>
                  <bond atomRefs2="a3 a73" order="S"/>
                  <bond atomRefs2="a3 a71" order="S"/>
                  <bond atomRefs2="a3 a79" order="S"/>
                  <bond atomRefs2="a4 a62" order="S"/>
                  <bond atomRefs2="a4 a67" order="S"/>
                  <bond atomRefs2="a4 a64" order="S"/>
                  <bond atomRefs2="a4 a66" order="S"/>
                  <bond atomRefs2="a4 a42" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a5 a74" order="S"/>
                  <bond atomRefs2="a5 a59" order="S"/>
                  <bond atomRefs2="a5 a54" order="S"/>
                  <bond atomRefs2="a5 a52" order="S"/>
                  <bond atomRefs2="a6 a68" order="S"/>
                  <bond atomRefs2="a6 a61" order="S"/>
                  <bond atomRefs2="a6 a65" order="S"/>
                  <bond atomRefs2="a7 a68" order="S"/>
                  <bond atomRefs2="a7 a63" order="S"/>
                  <bond atomRefs2="a7 a61" order="S"/>
                  <bond atomRefs2="a7 a69" order="S"/>
                  <bond atomRefs2="a7 a71" order="S"/>
                  <bond atomRefs2="a8 a71" order="S"/>
                  <bond atomRefs2="a8 a75" order="S"/>
                  <bond atomRefs2="a8 a78" order="S"/>
                  <bond atomRefs2="a8 a68" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a9 a41" order="S"/>
                  <bond atomRefs2="a9 a45" order="S"/>
                  <bond atomRefs2="a9 a43" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a10 a50" order="S"/>
                  <bond atomRefs2="a10 a47" order="S"/>
                  <bond atomRefs2="a10 a57" order="S"/>
                  <bond atomRefs2="a11 a58" order="S"/>
                  <bond atomRefs2="a11 a53" order="S"/>
                  <bond atomRefs2="a11 a55" order="S"/>
                  <bond atomRefs2="a12 a79" order="S"/>
                  <bond atomRefs2="a12 a72" order="S"/>
                  <bond atomRefs2="a12 a17" order="S"/>
                  <bond atomRefs2="a12 a76" order="S"/>
                  <bond atomRefs2="a12 a71" order="S"/>
                  <bond atomRefs2="a12 a69" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a13 a47" order="S"/>
                  <bond atomRefs2="a13 a50" order="S"/>
                  <bond atomRefs2="a13 a67" order="S"/>
                  <bond atomRefs2="a14 a48" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a41" order="S"/>
                  <bond atomRefs2="a14 a49" order="S"/>
                  <bond atomRefs2="a14 a63" order="S"/>
                  <bond atomRefs2="a14 a51" order="S"/>
                  <bond atomRefs2="a15 a59" order="S"/>
                  <bond atomRefs2="a15 a54" order="S"/>
                  <bond atomRefs2="a15 a56" order="S"/>
                  <bond atomRefs2="a15 a53" order="S"/>
                  <bond atomRefs2="a16 a78" order="S"/>
                  <bond atomRefs2="a16 a73" order="S"/>
                  <bond atomRefs2="a16 a75" order="S"/>
                  <bond atomRefs2="a16 a58" order="S"/>
                  <bond atomRefs2="a17 a79" order="S"/>
                  <bond atomRefs2="a17 a80" order="S"/>
                  <bond atomRefs2="a17 a74" order="S"/>
                  <bond atomRefs2="a17 a72" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a18 a60" order="S"/>
                  <bond atomRefs2="a18 a77" order="S"/>
                  <bond atomRefs2="a18 a52" order="S"/>
                  <bond atomRefs2="a18 a57" order="S"/>
                  <bond atomRefs2="a18 a50" order="S"/>
                  <bond atomRefs2="a19 a62" order="S"/>
                  <bond atomRefs2="a19 a67" order="S"/>
                  <bond atomRefs2="a19 a70" order="S"/>
                  <bond atomRefs2="a20 a72" order="S"/>
                  <bond atomRefs2="a20 a77" order="S"/>
                  <bond atomRefs2="a20 a80" order="S"/>
                  <bond atomRefs2="a20 a70" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a21 a50" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a21 a42" order="S"/>
                  <bond atomRefs2="a21 a64" order="S"/>
                  <bond atomRefs2="a21 a52" order="S"/>
                  <bond atomRefs2="a22 a79" order="S"/>
                  <bond atomRefs2="a22 a74" order="S"/>
                  <bond atomRefs2="a22 a73" order="S"/>
                  <bond atomRefs2="a22 a76" order="S"/>
                  <bond atomRefs2="a22 a59" order="S"/>
                  <bond atomRefs2="a23 a64" order="S"/>
                  <bond atomRefs2="a23 a70" order="S"/>
                  <bond atomRefs2="a23 a67" order="S"/>
                  <bond atomRefs2="a23 a50" order="S"/>
                  <bond atomRefs2="a23 a77" order="S"/>
                  <bond atomRefs2="a24 a56" order="S"/>
                  <bond atomRefs2="a24 a53" order="S"/>
                  <bond atomRefs2="a24 a55" order="S"/>
                  <bond atomRefs2="a24 a51" order="S"/>
                  <bond atomRefs2="a24 a43" order="S"/>
                  <bond atomRefs2="a25 a72" order="S"/>
                  <bond atomRefs2="a25 a77" order="S"/>
                  <bond atomRefs2="a25 a74" order="S"/>
                  <bond atomRefs2="a25 a76" order="S"/>
                  <bond atomRefs2="a25 a52" order="S"/>
                  <bond atomRefs2="a25 a64" order="S"/>
                  <bond atomRefs2="a26 a66" order="S"/>
                  <bond atomRefs2="a26 a63" order="S"/>
                  <bond atomRefs2="a26 a65" order="S"/>
                  <bond atomRefs2="a26 a61" order="S"/>
                  <bond atomRefs2="a26 a41" order="S"/>
                  <bond atomRefs2="a27 a76" order="S"/>
                  <bond atomRefs2="a27 a59" order="S"/>
                  <bond atomRefs2="a27 a52" order="S"/>
                  <bond atomRefs2="a27 a56" order="S"/>
                  <bond atomRefs2="a27 a51" order="S"/>
                  <bond atomRefs2="a27 a49" order="S"/>
                  <bond atomRefs2="a28 a60" order="S"/>
                  <bond atomRefs2="a28 a74" order="S"/>
                  <bond atomRefs2="a28 a80" order="S"/>
                  <bond atomRefs2="a28 a77" order="S"/>
                  <bond atomRefs2="a29 a49" order="S"/>
                  <bond atomRefs2="a29 a44" order="S"/>
                  <bond atomRefs2="a29 a43" order="S"/>
                  <bond atomRefs2="a29 a46" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a30 a49" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a66" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a57" order="S"/>
                  <bond atomRefs2="a31 a52" order="S"/>
                  <bond atomRefs2="a31 a56" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a75" order="S"/>
                  <bond atomRefs2="a32 a58" order="S"/>
                  <bond atomRefs2="a32 a51" order="S"/>
                  <bond atomRefs2="a32 a55" order="S"/>
                  <bond atomRefs2="a32 a48" order="S"/>
                  <bond atomRefs2="a33 a69" order="S"/>
                  <bond atomRefs2="a33 a62" order="S"/>
                  <bond atomRefs2="a33 a66" order="S"/>
                  <bond atomRefs2="a33 a61" order="S"/>
                  <bond atomRefs2="a34 a41" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a48" order="S"/>
                  <bond atomRefs2="a34 a65" order="S"/>
                  <bond atomRefs2="a35 a68" order="S"/>
                  <bond atomRefs2="a35 a63" order="S"/>
                  <bond atomRefs2="a35 a65" order="S"/>
                  <bond atomRefs2="a35 a48" order="S"/>
                  <bond atomRefs2="a35 a75" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a55" order="S"/>
                  <bond atomRefs2="a37 a76" order="S"/>
                  <bond atomRefs2="a37 a71" order="S"/>
                  <bond atomRefs2="a37 a75" order="S"/>
                  <bond atomRefs2="a37 a73" order="S"/>
                  <bond atomRefs2="a37 a51" order="S"/>
                  <bond atomRefs2="a37 a63" order="S"/>
                  <bond atomRefs2="a38 a69" order="S"/>
                  <bond atomRefs2="a38 a64" order="S"/>
                  <bond atomRefs2="a38 a66" order="S"/>
                  <bond atomRefs2="a38 a63" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a38 a76" order="S"/>
                  <bond atomRefs2="a39 a69" order="S"/>
                  <bond atomRefs2="a39 a70" order="S"/>
                  <bond atomRefs2="a39 a64" order="S"/>
                  <bond atomRefs2="a39 a62" order="S"/>
                  <bond atomRefs2="a39 a72" order="S"/>
                  <bond atomRefs2="a40 a42" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a40 a46" 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">-18.7861 -18.5307 -18.3871 -18.3550 -18.1993 -18.1274 -18.0435 -17.9614 -17.9395 -17.8893 -17.8568 -17.8334 -17.8034 -17.7367 -17.7021 -17.6824 -17.6545 -17.6264 -17.6171 -17.5756 -17.5400 -17.5165 -17.4819 -17.4595 -17.4255 -17.4102 -17.3827 -17.3313 -17.2849 -17.2709 -17.2360 -17.2076 -17.1634 -17.1497 -17.0901 -17.0570 -17.0514 -16.9666 -16.8979 -16.7707 -6.7946 -6.7401 -6.6933 -6.6245 -6.5069 -6.4846 -6.4533 -6.3428 -6.2850 -6.2592 -6.2165 -6.1953 -6.1743 -6.1537 -6.1280 -6.0730 -6.0491 -6.0321 -6.0142 -5.9558 -5.9426 -5.9207 -5.9107 -5.8751 -5.8531 -5.8228 -5.8058 -5.7931 -5.7776 -5.7552 -5.7472 -5.7141 -5.7010 -5.6924 -5.6687 -5.6528 -5.6265 -5.5992 -5.5861 -5.5594 -5.5436 -5.5258 -5.5165 -5.4828 -5.4700 -5.4419 -5.4195 -5.3842 -5.3747 -5.3563 -5.3389 -5.3192 -5.2800 -5.2680 -5.2476 -5.2313 -5.1789 -5.1736 -5.1530 -5.1299 -5.1116 -5.0673 -5.0189 -4.9956 -4.9702 -4.9438 -4.9161 -4.8949 -4.8552 -4.8403 -4.8109 -4.7927 -4.7385 -4.7088 -4.6831 -4.6657 -4.6242 -4.5971 -4.5840 -4.5520 -4.5103 -4.4854 -4.4537 -4.4101 -4.3816 -4.3652 -4.3278 -4.2895 -4.2604 -4.2384 -4.2215 -4.1823 -4.1386 -4.1249 -4.0760 -4.0538 -4.0159 -4.0051 -3.9856 -3.9483 -3.9113 -3.8811 -3.8692 -3.8297 -3.8135 -3.7957 -3.7662 -3.7250 -3.6982 -3.6873 -3.6417 -3.6336 -3.6130 -3.5990 -3.5764 -3.5380 -3.5083 -3.4820 -3.4685 -3.4377 -3.3838 -3.3545 -3.3389 -3.3211 -3.2738 -3.2431 -3.1976 -3.1746 -3.1531 -3.1336 -3.1010 -3.0664 -3.0547 -3.0074 -2.9693 -2.9027 -2.8709 -2.8509 -2.8182 -2.7846 -2.7353 -2.7090 -2.6514 -2.6260 -2.5899 -2.5385 -2.5191 -2.4871 -2.4232 -2.4037 -2.3657 -2.3134 -2.2843 -2.2713 -2.2281 -2.1753 -2.1353 -2.1096 -2.0517 -2.0226 -1.9790 -1.9511 -1.9348 -1.8797 -1.8406 -1.8172 -1.7632 -1.7372 -1.7070 -1.6829 -1.6212 -1.6127 -1.5682 -1.5386 -1.5063 -1.4602 -1.4470 -1.4327 -1.4104 -1.4021 -1.3796 -1.3552 -1.3341 -1.3200 -1.2935 -1.2800 -1.2678 -1.2614 -1.2487 -1.2212 -1.2185 -1.1961 -1.1674 -1.1621 -1.1425 -1.1336 -1.1140 -1.1015 -1.0899 -1.0749 -1.0578 -1.0529 -1.0352 -1.0205 -1.0066 -0.9902 -0.9778 -0.9569 -0.9467 -0.9371 -0.9341 -0.9224 -0.9070 -0.9043 -0.8885 -0.8812 -0.8607 -0.8494 -0.8382 -0.8215 -0.8080 -0.7949 -0.7783 -0.7714 -0.7562 -0.7407 -0.7141 -0.6966 -0.6594 -0.6458 -0.6290 -0.6078 -0.5922 -0.5723 -0.5573 -0.5419 -0.5177 -0.5050 -0.4855 -0.4585 -0.4237 -0.3986 -0.3871 -0.3420 -0.3260 -0.2626 -0.1689 -0.1330 -0.0496 -0.0188 0.0210 0.0496 0.1012 0.1430 0.1873 0.2114 0.2664 0.3161 0.3282 0.4085 0.4418 0.4998 0.5640 0.6434 0.6592 0.7704 0.8736 0.8829 1.0415 1.3476 2.2092 2.7124 3.6217 3.6963 3.7584 4.1121 4.1610 4.4590 4.6565 4.7055 4.7912 4.9078 4.9681 5.0162 5.2626 5.3784 5.5393 5.6336 5.6908 5.7578 5.8070 5.8736 5.9318 5.9648 5.9951 6.0680 6.1110 6.1912 6.2948 6.4577 6.5671 6.7130 6.7419 6.8096 6.8753 6.9180 6.9353 7.0010 7.0622 7.1083 7.1653 7.3331 7.3706 7.3982 7.4960 7.5670 7.5889 7.7201 7.8448 7.8578 7.9916 8.0457 8.0878 8.1762 8.2440 8.2937 8.3789 8.4415 8.5160 8.5319 8.6704 8.7121 8.7259 8.8260 8.8501 8.8749 8.9172 8.9477 8.9859 9.0169 9.1103 9.1776 9.2423 9.3062 -18.7871 -18.5252 -18.3976 -18.3477 -18.1846 -18.1497 -18.0546 -17.9632 -17.9211 -17.8916 -17.8610 -17.8157 -17.7807 -17.7453 -17.7179 -17.6916 -17.6662 -17.6359 -17.6097 -17.5630 -17.5367 -17.5223 -17.4744 -17.4568 -17.4374 -17.3978 -17.3748 -17.3428 -17.2938 -17.2707 -17.2270 -17.2227 -17.1682 -17.1357 -17.0795 -17.0657 -17.0489 -16.9613 -16.9077 -16.7684 -6.7833 -6.7429 -6.6933 -6.6251 -6.5059 -6.4812 -6.4518 -6.3461 -6.3041 -6.2690 -6.2371 -6.1979 -6.1743 -6.1427 -6.1213 -6.0969 -6.0514 -6.0154 -5.9899 -5.9707 -5.9447 -5.9112 -5.8879 -5.8786 -5.8557 -5.8394 -5.8019 -5.7917 -5.7730 -5.7635 -5.7454 -5.7193 -5.7117 -5.6921 -5.6723 -5.6444 -5.6251 -5.6015 -5.5745 -5.5646 -5.5458 -5.5124 -5.4978 -5.4731 -5.4503 -5.4441 -5.4178 -5.3947 -5.3781 -5.3620 -5.3229 -5.3122 -5.2821 -5.2614 -5.2484 -5.2206 -5.1924 -5.1805 -5.1518 -5.1418 -5.1143 -5.0541 -5.0275 -5.0044 -4.9661 -4.9524 -4.9141 -4.8742 -4.8662 -4.8366 -4.7965 -4.7840 -4.7609 -4.7318 -4.6947 -4.6820 -4.6292 -4.6115 -4.5703 -4.5514 -4.5243 -4.4906 -4.4636 -4.4021 -4.3747 -4.3506 -4.3258 -4.2798 -4.2584 -4.2432 -4.1969 -4.1473 -4.1330 -4.1054 -4.0954 -4.0572 -4.0434 -4.0249 -3.9748 -3.9452 -3.9235 -3.8865 -3.8757 -3.8446 -3.8288 -3.7647 -3.7540 -3.7345 -3.7224 -3.6842 -3.6584 -3.6424 -3.6147 -3.5850 -3.5686 -3.5394 -3.5006 -3.4871 -3.4574 -3.4278 -3.3868 -3.3659 -3.3499 -3.3338 -3.2809 -3.2428 -3.2065 -3.1974 -3.1589 -3.1200 -3.0717 -3.0616 -3.0291 -2.9815 -2.9619 -2.8924 -2.8610 -2.8215 -2.8084 -2.7620 -2.7346 -2.7195 -2.6664 -2.6375 -2.6026 -2.5598 -2.5373 -2.4696 -2.4341 -2.4062 -2.3726 -2.3159 -2.2880 -2.2509 -2.1915 -2.1776 -2.1467 -2.0982 -2.0708 -2.0354 -1.9994 -1.9519 -1.9233 -1.8740 -1.8420 -1.8038 -1.7533 -1.7386 -1.7081 -1.6844 -1.6587 -1.6239 -1.5587 -1.5293 -1.4997 -1.4715 -1.4609 -1.4353 -1.4107 -1.3930 -1.3737 -1.3590 -1.3331 -1.3199 -1.3121 -1.2922 -1.2842 -1.2583 -1.2516 -1.2267 -1.2005 -1.1762 -1.1684 -1.1542 -1.1452 -1.1266 -1.1102 -1.0953 -1.0892 -1.0834 -1.0657 -1.0517 -1.0344 -1.0165 -1.0060 -0.9968 -0.9898 -0.9695 -0.9508 -0.9428 -0.9361 -0.9202 -0.9116 -0.8969 -0.8923 -0.8762 -0.8686 -0.8510 -0.8385 -0.8220 -0.8051 -0.7898 -0.7820 -0.7670 -0.7501 -0.7255 -0.7033 -0.6899 -0.6610 -0.6417 -0.6269 -0.6111 -0.6015 -0.5794 -0.5575 -0.5436 -0.5185 -0.5117 -0.4845 -0.4434 -0.4217 -0.4021 -0.3907 -0.3479 -0.3050 -0.2432 -0.1610 -0.1316 -0.0558 -0.0182 0.0187 0.0501 0.0964 0.1390 0.1876 0.2131 0.2725 0.3071 0.3245 0.4035 0.4436 0.5142 0.5691 0.6327 0.6629 0.7857 0.8538 0.8795 1.0396 1.3475 2.2102 2.7136 3.6036 3.7135 3.7643 4.1222 4.1468 4.4591 4.6524 4.7025 4.7841 4.8708 4.9757 5.0579 5.2897 5.3692 5.5347 5.6495 5.6774 5.7838 5.7950 5.8518 5.9337 5.9559 6.0043 6.0386 6.1190 6.2225 6.2663 6.3771 6.6004 6.6982 6.7512 6.8242 6.8650 6.9237 6.9481 7.0265 7.0735 7.1206 7.2266 7.3179 7.3652 7.4004 7.4371 7.5127 7.6616 7.6985 7.8423 7.8642 7.9532 8.0447 8.1262 8.1932 8.2415 8.2941 8.3903 8.4371 8.4834 8.5626 8.6837 8.6953 8.7356 8.7705 8.8385 8.8834 8.9099 8.9492 8.9834 9.0648 9.1131 9.1869 9.2285 9.3191</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 1.00000 1.00000 1.00000 1.00000 0.38497 0.07903 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00000 1.00000 1.00000 1.00000 0.67769 0.04732 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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">-18.6274 -18.3555 -18.2675 -18.1953 -18.0269 -17.9771 -17.9160 -17.8178 -17.7710 -17.7249 -17.6914 -17.6455 -17.6063 -17.5846 -17.5699 -17.5051 -17.4989 -17.4514 -17.4248 -17.4136 -17.3908 -17.3594 -17.3292 -17.2886 -17.2774 -17.2508 -17.2362 -17.2098 -17.2004 -17.1582 -17.1381 -17.0977 -17.0757 -17.0543 -16.9945 -16.9812 -16.9460 -16.8584 -16.8545 -16.7200 -6.7436 -6.6523 -6.6093 -6.5395 -6.4480 -6.4188 -6.3966 -6.2740 -6.2257 -6.1878 -6.1516 -6.1232 -6.1000 -6.0780 -6.0496 -6.0055 -5.9786 -5.9601 -5.9365 -5.9039 -5.8758 -5.8601 -5.8499 -5.8144 -5.7867 -5.7617 -5.7476 -5.7334 -5.7252 -5.7059 -5.6798 -5.6684 -5.6512 -5.6361 -5.6206 -5.5949 -5.5711 -5.5493 -5.5224 -5.5024 -5.4807 -5.4582 -5.4488 -5.4167 -5.4077 -5.3784 -5.3660 -5.3169 -5.3127 -5.2887 -5.2567 -5.2372 -5.2294 -5.2175 -5.1741 -5.1405 -5.1195 -5.0908 -5.0583 -5.0185 -5.0032 -4.9678 -4.9085 -4.8972 -4.8528 -4.8308 -4.7891 -4.7802 -4.7323 -4.7120 -4.6820 -4.6223 -4.6100 -4.5727 -4.5389 -4.4886 -4.4653 -4.4391 -4.3974 -4.3595 -4.3417 -4.3253 -4.2450 -4.2243 -4.1870 -4.1379 -4.0924 -4.0601 -4.0103 -3.9842 -3.9461 -3.9089 -3.8883 -3.8658 -3.8409 -3.7907 -3.7631 -3.7431 -3.7312 -3.7015 -3.6668 -3.6175 -3.5926 -3.5647 -3.5371 -3.5201 -3.4799 -3.4388 -3.4190 -3.3908 -3.3762 -3.3473 -3.3105 -3.2992 -3.2756 -3.2714 -3.2446 -3.2182 -3.1878 -3.1657 -3.1561 -3.1443 -3.0958 -3.0767 -3.0522 -3.0319 -2.9931 -2.9471 -2.9217 -2.8974 -2.8867 -2.8609 -2.8189 -2.7745 -2.7598 -2.7248 -2.6837 -2.6665 -2.6263 -2.5910 -2.5518 -2.4997 -2.4629 -2.4155 -2.3721 -2.3697 -2.3205 -2.2879 -2.2731 -2.2338 -2.2018 -2.1700 -2.1422 -2.1196 -2.0692 -2.0373 -1.9567 -1.9285 -1.8953 -1.8719 -1.8207 -1.7886 -1.7376 -1.7053 -1.6578 -1.6002 -1.5671 -1.5318 -1.5088 -1.4667 -1.4277 -1.4090 -1.3893 -1.3578 -1.3253 -1.2936 -1.2625 -1.2368 -1.2011 -1.1749 -1.1365 -1.1206 -1.0562 -1.0212 -0.9602 -0.9411 -0.9020 -0.8773 -0.8693 -0.8475 -0.8285 -0.8199 -0.8085 -0.8023 -0.7602 -0.7254 -0.6904 -0.6784 -0.6571 -0.6383 -0.6259 -0.6036 -0.5827 -0.5591 -0.5420 -0.5174 -0.5039 -0.4989 -0.4581 -0.4400 -0.4132 -0.3795 -0.3709 -0.3368 -0.3193 -0.3044 -0.2743 -0.2571 -0.2367 -0.2227 -0.1879 -0.1703 -0.1404 -0.1134 -0.0957 -0.0709 -0.0585 -0.0485 -0.0223 -0.0154 -0.0074 0.0119 0.0201 0.0336 0.0759 0.0902 0.1005 0.1691 0.1902 0.2235 0.2611 0.3309 0.3544 0.4278 0.4695 0.5152 0.6414 0.7871 0.8165 0.8507 0.9204 0.9969 1.0254 1.1069 1.1499 1.2378 1.2705 1.3186 1.3235 1.3767 1.4115 1.4760 1.5919 1.6306 1.7064 1.8047 2.0055 2.1076 2.2315 2.2394 2.3353 2.8002 3.7471 3.8009 3.8847 4.2037 4.2439 4.5618 4.7375 4.8131 4.8922 4.9989 5.0552 5.1053 5.3638 5.5702 5.6280 5.7113 5.7845 5.8380 5.9517 5.9941 6.0318 6.0587 6.1011 6.1751 6.2344 6.3264 6.3996 6.5380 6.6596 6.7815 6.8135 6.8760 6.9605 7.0108 7.0502 7.0839 7.1522 7.1961 7.2774 7.4383 7.4664 7.5033 7.5786 7.6528 7.6913 7.8219 7.9365 7.9644 8.0868 8.1438 8.2296 8.2783 8.3363 8.3920 8.4703 8.5127 8.5976 8.6210 8.7482 8.8127 8.8188 8.9001 8.9271 8.9795 9.0136 9.0484 9.0873 9.1086 9.1822 9.2463 9.3236 9.3931 -18.6285 -18.3495 -18.2666 -18.1980 -18.0472 -17.9722 -17.9074 -17.8133 -17.7593 -17.7270 -17.6880 -17.6617 -17.6039 -17.5831 -17.5645 -17.5247 -17.4919 -17.4410 -17.4307 -17.4143 -17.3947 -17.3551 -17.3164 -17.3001 -17.2698 -17.2595 -17.2337 -17.2124 -17.2044 -17.1565 -17.1302 -17.0932 -17.0864 -17.0541 -16.9961 -16.9859 -16.9331 -16.8598 -16.8582 -16.7196 -6.7293 -6.6556 -6.6134 -6.5392 -6.4439 -6.4162 -6.3952 -6.2844 -6.2379 -6.1956 -6.1646 -6.1380 -6.1071 -6.0769 -6.0353 -6.0146 -5.9895 -5.9410 -5.9175 -5.8937 -5.8745 -5.8515 -5.8227 -5.8139 -5.7983 -5.7831 -5.7568 -5.7375 -5.7215 -5.7019 -5.6860 -5.6775 -5.6469 -5.6327 -5.6141 -5.5942 -5.5760 -5.5445 -5.5226 -5.4990 -5.4808 -5.4625 -5.4456 -5.4161 -5.4005 -5.3801 -5.3493 -5.3383 -5.3206 -5.2625 -5.2521 -5.2368 -5.2231 -5.1819 -5.1622 -5.1511 -5.1267 -5.0958 -5.0689 -5.0506 -5.0276 -4.9784 -4.9183 -4.8772 -4.8527 -4.8323 -4.8124 -4.7397 -4.7112 -4.6890 -4.6522 -4.6256 -4.6105 -4.6019 -4.5800 -4.5083 -4.4700 -4.4248 -4.3886 -4.3336 -4.3240 -4.2988 -4.2567 -4.2183 -4.1796 -4.1404 -4.1086 -4.0753 -4.0398 -3.9919 -3.9832 -3.9206 -3.8913 -3.8592 -3.8213 -3.8020 -3.7700 -3.7393 -3.7076 -3.6904 -3.6777 -3.6247 -3.5841 -3.5487 -3.5405 -3.4967 -3.4882 -3.4509 -3.4269 -3.4002 -3.3815 -3.3333 -3.3275 -3.3138 -3.2892 -3.2611 -3.2381 -3.2151 -3.1975 -3.1695 -3.1525 -3.1302 -3.1036 -3.0922 -3.0490 -3.0162 -3.0027 -2.9621 -2.9194 -2.8960 -2.8803 -2.8377 -2.8103 -2.7523 -2.7373 -2.7146 -2.6880 -2.6653 -2.6493 -2.5911 -2.5588 -2.4805 -2.4345 -2.4250 -2.4041 -2.3654 -2.3198 -2.3016 -2.2781 -2.2339 -2.2088 -2.1538 -2.1319 -2.1059 -2.0751 -2.0074 -1.9567 -1.9327 -1.8854 -1.8763 -1.8172 -1.7674 -1.7271 -1.7109 -1.6702 -1.6137 -1.5763 -1.5455 -1.5290 -1.4962 -1.4633 -1.4202 -1.3880 -1.3547 -1.3331 -1.2974 -1.2527 -1.2323 -1.1898 -1.1571 -1.1240 -1.0786 -1.0536 -1.0290 -0.9799 -0.9352 -0.9123 -0.8941 -0.8721 -0.8589 -0.8359 -0.8255 -0.8092 -0.7959 -0.7526 -0.7289 -0.6957 -0.6770 -0.6576 -0.6288 -0.6213 -0.6048 -0.5706 -0.5601 -0.5370 -0.5282 -0.5146 -0.4971 -0.4456 -0.4249 -0.4085 -0.3781 -0.3717 -0.3447 -0.3154 -0.2948 -0.2722 -0.2600 -0.2357 -0.2282 -0.2032 -0.1671 -0.1496 -0.1162 -0.0950 -0.0718 -0.0483 -0.0332 -0.0244 -0.0147 -0.0006 0.0043 0.0200 0.0343 0.0808 0.0902 0.0990 0.1687 0.1938 0.2233 0.2560 0.3314 0.3525 0.4366 0.4700 0.5153 0.6438 0.7820 0.8174 0.8479 0.9179 0.9981 1.0208 1.1094 1.1436 1.2311 1.2810 1.3073 1.3314 1.3696 1.4176 1.4730 1.5966 1.6349 1.7023 1.8064 2.0056 2.1073 2.2313 2.2400 2.3363 2.8015 3.7364 3.8096 3.8907 4.2055 4.2392 4.5649 4.7370 4.8071 4.8823 4.9584 5.0655 5.1465 5.3765 5.5658 5.6387 5.7205 5.7670 5.8570 5.9329 5.9910 6.0252 6.0589 6.1092 6.1563 6.2666 6.3220 6.3738 6.4524 6.6858 6.7763 6.8267 6.8946 6.9510 7.0240 7.0528 7.1191 7.1601 7.1905 7.3539 7.4246 7.4559 7.4987 7.5414 7.5900 7.7450 7.8008 7.9427 7.9678 8.0610 8.1438 8.2234 8.3232 8.3614 8.3815 8.4695 8.5196 8.5590 8.6394 8.7635 8.7988 8.8257 8.8580 8.9254 8.9530 9.0142 9.0458 9.0924 9.1497 9.1920 9.2543 9.3155 9.3997</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 0.43855 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.37245 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="23"
                          units="nonsi2:ev.angstrom-1">-0.006488 -0.098506 -0.199815 0.002296 0.073073 0.030151 0.007643 -0.040195 -0.121348 0.012286 -0.055064 0.155155 -0.036207 0.219061 0.264579 0.021617 -0.089611 0.274107 0.005372 0.114013 -0.142348 -0.020402 0.079480 0.389842 0.065463 0.015447 -0.021300 0.004227 0.008925 -0.118388 -0.037572 -0.234225 0.533958 -0.118113 -0.033991 0.049545 0.035003 0.090660 -0.301246 -0.017175 -0.140598 0.235081 0.010703 0.296894 -0.328861 0.068476 0.231903 0.436531 0.007345 -0.274220 0.242761 -0.035754 0.107691 -0.318180 0.054370 -0.091082 -0.163286 -0.054200 -0.107267 -0.235800 0.046552 0.081001 0.315794 -0.029230 -0.139228 0.080625 0.060034 -0.058585 0.597240 -0.029420 0.008889 -0.053657 -0.062790 -0.031484 0.297619 -0.089661 -0.013377 -0.068521 0.002389 -0.015730 -0.000425 -0.044417 0.048206 0.451862 0.014706 0.112365 0.029884 -0.004168 0.010878 -0.024006 -0.179064 0.065805 0.179181 -0.050688 -0.050422 -0.056260 0.020589 -0.025666 0.069072 0.051077 0.055711 -0.057525 -0.068077 0.207811 -0.140439 0.044669 -0.206764 -0.059466 0.101317 -0.007173 -0.050099 0.005780 -0.154802 0.104342 0.043387 -0.065301 0.381232 0.178526 0.078998 0.234762 -0.063267 -0.606886 0.079043 -0.472730 0.526303 0.201340 -0.598896 -0.008506 -0.192300 -0.104252 -0.000175 0.230869 -0.190695 -0.118710 -0.040099 -0.308011 -0.082229 -0.430916 -0.030123 0.056199 0.379203 -0.007831 0.010781 -0.185175 -0.066869 -0.043902 -0.163760 -0.005367 -0.336572 0.101120 0.036323 -0.000786 0.062956 0.455696 0.072551 0.194344 0.602361 0.033300 0.021624 0.113635 0.059970 -0.085640 0.176511 -0.131251 -0.419773 0.364567 -0.385724 -0.056115 0.031247 0.065954 0.405197 0.006690 -0.007382 -0.322424 0.068008 -0.327944 0.137783 0.008690 -0.389016 -0.210441 -0.013977 0.645153 -0.470668 -0.430601 -0.440618 0.166144 -0.063016 -0.048592 0.158776 -0.618196 0.026127 -0.729648 -0.159618 0.103854 -0.435374 0.007381 0.055763 0.476052 -0.072470 -0.043717 -0.220919 0.007452 -0.005685 -0.100609 0.287796 0.028576 -0.310804 -0.018447 0.351701 0.409629 0.014806 -0.034359 -0.182181 0.472701 -0.010683 -0.254469 0.061454 -0.024981 -0.213822 0.645344 -0.233399 -0.624397 0.183811 0.095691 -0.504293 -0.019651 0.330322 0.125742 0.070964 -0.051053 0.090197 -0.007366 0.001295 -0.152725 -0.363543 0.507898 0.155330 0.019088 0.387210 0.018850 -0.011988 -0.049590 -0.176462 0.001127 0.079826 0.040202 -0.013332 -0.025760 -0.026199 -0.015016 -0.012376 0.032832 0.010877 0.089293 0.150719 0.023013 -0.101507 0.272360 0.022535 0.110064 -0.144414 -0.021831 0.078282 0.406033 0.067244 0.009212 -0.048851 0.009896 0.030607 0.050228 -0.044710 -0.235830 0.534355 0.007908 0.012999 0.035690 0.008989 0.039050 -0.153322 -0.013561 -0.138282 0.214343 -0.030862 0.101395 -0.113739 0.072281 0.234404 0.425110 -0.007121 -0.124496 0.039403 -0.006024 0.028578 -0.147043 0.012956 -0.035529 -0.050623 -0.009391 -0.024248 -0.128797 0.039561 0.118421 0.162834 -0.031953 -0.026515 -0.007241 0.035705 -0.043866 0.424286 -0.035435 -0.009811 -0.025484 -0.048272 -0.012914 0.127863 -0.076634 -0.006728 -0.003816 0.001142 -0.041545 0.023382 -0.024154 0.027563 0.311857 0.043091 0.058243 0.012954 -0.005080 -0.010027 0.017421 -0.012094 0.025489 0.083597 -0.053738 -0.049598 -0.058151 -0.052083 -0.008298 0.088559 0.054498 0.068628 -0.060349 -0.071594 0.208593 -0.140046 0.053024 -0.207479 -0.056670 0.087783 0.009309 -0.012734 0.028602 -0.087946 -0.026707 0.041845 -0.104033 0.212512 0.018102 0.060991 0.119424 -0.075735 -0.568998 0.056335 -0.384456 0.295988 0.114956 -0.588427 -0.000733 -0.226224 -0.127096 -0.049959 0.139198 -0.194113 -0.120397 0.005477 -0.113683 -0.072956 -0.262859 -0.009849 0.028465 0.226216 -0.008709 0.008538 -0.189512 -0.036398 -0.119913 -0.038424 0.001960 -0.208260 0.057172 0.046151 0.012492 0.070493 0.377794 0.064394 0.103700 0.592835 0.059287 -0.086659 0.135944 0.072436 0.007256 0.180206 -0.129276 -0.416413 0.133663 -0.162219 -0.000646 0.011358 0.017937 0.249970 0.007615 -0.005931 -0.318516 0.041071 -0.192024 0.078093 -0.001354 -0.266688 -0.174976 -0.023267 0.602089 -0.462129 -0.150660 -0.235924 0.106322 -0.081452 -0.057166 0.185371 -0.527453 0.060599 -0.303787 -0.163626 0.103968 -0.460422 -0.040959 0.062779 0.358161 -0.045948 -0.022071 -0.137240 0.002799 -0.002580 -0.106691 0.094139 0.116965 -0.118440 0.011074 0.196494 0.247354 0.022525 -0.049304 -0.258557 0.163034 -0.032118 -0.009373 0.073087 -0.033833 -0.108687 0.501326 -0.151177 -0.350988 0.188852 0.094246 -0.504069 0.020490 0.151620 0.152197 0.043026 -0.008831 0.071704 -0.002170 -0.001653 -0.159887 -0.120944 0.266956 0.027633 -0.007957 0.242190 0.031576 -0.021699 0.019910 -0.129238 -0.000026 0.089909 0.054174 -0.042806 -0.004404 0.105909 -0.056324 0.060687 -0.185890 0.075411 -0.108141 -0.038813 0.024170 -0.119676 0.269188 0.047143 0.103845 -0.153524 -0.023627 0.076392 0.427344 0.065539 0.001473 -0.096959 0.018395 0.053984 0.305706 -0.055345 -0.237633 0.535823 0.183244 0.077032 0.009106 -0.023344 -0.042540 0.069969 -0.009049 -0.135450 0.188139 -0.083745 -0.184393 0.162278 0.077409 0.237099 0.411447 -0.031759 0.064476 -0.238976 0.029235 -0.089313 0.104641 -0.039328 0.043939 0.118375 0.055274 0.094245 0.017139 0.036295 0.170001 -0.031627 -0.029561 0.102197 -0.164572 0.001189 -0.032353 0.263197 -0.043938 -0.036571 0.019295 -0.038275 0.019805 -0.100757 -0.059753 0.001427 0.070585 -0.002129 -0.080187 0.056065 0.003325 0.001988 0.185313 0.089589 -0.011031 -0.007490 -0.006324 -0.042198 0.069722 0.210269 -0.027402 -0.051514 -0.057088 -0.048787 -0.058019 -0.145083 0.018609 0.100039 0.058171 0.088078 -0.061062 -0.077386 0.209463 -0.138951 0.065345 -0.208723 -0.051817 0.070765 0.030690 0.038797 0.073154 0.002542 -0.288463 0.049044 -0.164163 0.015008 -0.208264 0.045482 -0.013484 -0.091141 -0.518131 0.016134 -0.281293 0.029056 -0.014832 -0.578875 0.007898 -0.266637 -0.151080 -0.136447 0.002557 -0.196168 -0.122479 0.079216 0.134923 -0.069371 -0.088801 0.014674 -0.005538 0.015003 -0.009831 0.004790 -0.194206 0.007224 -0.210693 0.103544 0.012560 -0.038704 0.002399 0.056943 0.025341 0.072387 0.287626 0.050884 -0.020919 0.580438 0.092780 -0.238020 0.183953 0.093574 0.142844 0.184596 -0.126813 -0.406694 -0.173697 0.127010 0.060174 -0.014153 -0.040021 0.047489 0.008768 -0.004753 -0.314349 0.005836 0.017506 0.000153 -0.013775 -0.094707 -0.099204 -0.034148 0.542147 -0.444779 0.210074 -0.024524 0.030176 -0.108692 -0.068450 0.227067 -0.410846 0.123997 0.295661 -0.166947 0.103557 -0.490508 -0.109797 0.077574 0.192425 -0.005377 0.009603 -0.024408 -0.003258 0.002246 -0.112318 -0.160260 0.232997 0.102903 0.043526 0.004780 0.033243 0.033727 -0.065533 -0.354841 -0.244335 -0.060020 0.331919 0.089688 -0.044529 0.032243 0.301858 -0.022414 0.006602 0.194005 0.092265 -0.499775 0.063921 -0.072382 0.178295 0.007736 0.050313 0.059373 0.003647 -0.005077 -0.168738 0.191538 -0.024158 -0.139933 -0.041702 0.026117 0.061058 -0.010485 0.003579 0.027201 0.004217 0.075885 0.072269 -0.026356 0.009563 0.049519 -0.070631 0.060026 -0.062328 0.049150 0.007367 -0.082698 0.023564 -0.130672 0.270996 0.033128 0.134947 -0.128177 -0.023879 0.084757 0.423251 0.061706 -0.007635 -0.111077 0.010630 0.007555 0.172227 -0.063242 -0.237666 0.535128 0.039101 0.039545 0.005576 -0.008406 -0.034159 0.078855 -0.012512 -0.163523 0.176514 -0.014970 -0.067399 0.072621 0.084824 0.237269 0.403543 0.020029 -0.011137 -0.087198 0.020923 -0.056242 0.102108 -0.018304 0.047870 0.103311 0.029018 0.067530 0.116849 0.040632 0.070878 -0.042896 0.000869 0.016424 -0.120564 0.009704 0.001260 0.185469 -0.048451 -0.032418 -0.001016 -0.020280 -0.026314 -0.018436 -0.074679 0.010331 0.098197 0.017170 -0.044739 0.036684 -0.003570 0.010856 0.095814 0.027072 -0.064387 0.047039 -0.012403 -0.040662 0.045544 0.024213 0.013032 -0.000817 -0.057398 -0.055609 -0.058185 -0.033808 0.026465 0.047536 0.058038 0.098838 -0.061360 -0.086487 0.208824 -0.162402 0.073269 -0.208494 -0.048986 0.086765 0.024421 0.036684 0.019488 0.044807 -0.096371 0.008489 -0.047030 0.015832 -0.008080 0.020118 -0.011711 -0.085164 -0.483240 0.026117 -0.183977 -0.041810 -0.026127 -0.568978 0.012790 -0.301801 -0.085648 -0.043303 0.041850 -0.197290 -0.120649 0.106655 0.096825 -0.035620 -0.035500 0.009867 0.003130 -0.015278 -0.009813 0.011732 -0.190729 0.000662 -0.089368 0.128524 0.015089 0.022939 -0.014752 0.047914 0.049486 0.086101 0.232379 0.034301 -0.006694 0.560033 0.094471 -0.227188 0.083345 -0.045602 0.020691 0.186281 -0.127083 -0.427785 -0.096938 0.075820 0.133175 -0.007961 -0.005904 -0.033152 0.008284 -0.002915 -0.309943 0.006656 -0.020562 -0.003537 -0.006595 -0.019291 -0.034920 -0.035177 0.502384 -0.440103 0.097712 0.037906 0.021040 -0.094361 -0.087101 0.258241 -0.321790 0.006215 0.145089 -0.161347 0.100964 -0.522627 -0.018107 0.037852 0.068456 -0.018476 0.001990 0.005642 -0.001207 -0.005242 -0.108367 -0.074673 0.136672 0.090265 0.016857 -0.028094 0.048675 0.037467 -0.091061 -0.320256 -0.104218 -0.029586 0.143982 0.071167 -0.040397 0.052941 0.176019 0.074967 0.053751 0.189765 0.091519 -0.495522 0.000674 -0.034127 0.141439 0.008054 0.000031 0.015053 0.000812 -0.007606 -0.161200 0.087108 -0.008531 -0.021090 -0.009309 -0.022141 -0.015662 -0.001716 -0.015728 0.186852 0.008738 0.063340 0.087981 -0.010332 0.021751 -0.005451 -0.084579 0.054475 0.073940 0.011360 0.116880 -0.125974 0.022970 -0.140615 0.272517 0.019660 0.165087 -0.105362 -0.023741 0.092775 0.418774 0.058139 -0.016148 -0.127442 -0.002889 -0.054933 0.059614 -0.071003 -0.237598 0.534049 -0.093977 0.003308 -0.003436 0.008113 -0.023641 0.090311 -0.015719 -0.190432 0.165942 0.051807 0.054001 -0.013640 0.091675 0.237326 0.396208 0.063548 -0.086042 0.051386 0.011792 -0.025111 0.099462 0.001439 0.047887 0.091216 0.003012 0.041994 0.215700 0.046486 -0.011147 -0.056310 0.028264 -0.063120 -0.080174 0.017142 0.031410 0.116772 -0.052375 -0.028165 -0.020203 -0.002033 -0.070633 0.059559 -0.088775 0.018072 0.117759 0.033244 -0.010653 0.018552 -0.009288 0.020144 0.015931 -0.033801 -0.114951 0.097587 -0.014378 -0.041594 0.019645 -0.143642 0.051789 0.046721 -0.057442 -0.062187 -0.058255 0.077538 0.035802 -0.003787 0.057963 0.108421 -0.061316 -0.094658 0.207937 -0.184634 0.080786 -0.207964 -0.047058 0.102798 0.017793 0.031864 -0.030667 0.079333 0.083325 -0.028249 0.072103 0.014243 0.191233 -0.003694 -0.013281 -0.079161 -0.454403 0.033143 -0.077254 -0.096389 -0.040016 -0.563199 0.017826 -0.332725 -0.039418 0.039783 0.071644 -0.197592 -0.119367 0.132936 0.062716 -0.011212 0.016780 0.005605 0.009507 -0.046834 -0.009555 0.018149 -0.187382 -0.005289 0.024992 0.145117 0.018170 0.083227 -0.027327 0.039093 0.071349 0.097350 0.172064 0.010610 0.010468 0.544538 0.095418 -0.217283 -0.008270 -0.170061 -0.104713 0.187581 -0.127334 -0.447643 -0.023072 0.023950 0.202027 -0.007550 0.024300 -0.103698 0.007888 -0.001127 -0.306605 0.006242 -0.057165 -0.003181 0.002456 0.044832 0.020568 -0.036588 0.468053 -0.436818 -0.006533 0.087482 0.019389 -0.079261 -0.105096 0.280609 -0.220453 -0.118094 0.013995 -0.155682 0.099143 -0.550553 0.062352 0.006933 -0.060794 -0.030275 -0.002628 0.040320 0.000620 -0.012382 -0.105153 0.006760 0.050183 0.073945 -0.008730 -0.050093 0.062950 0.041427 -0.113675 -0.288339 0.028670 -0.001425 -0.029864 0.052942 -0.036043 0.069780 0.039547 0.175346 0.090171 0.185856 0.090878 -0.491155 -0.055342 0.008907 0.104061 0.005772 -0.044248 -0.018972 -0.001486 -0.010211 -0.154084 -0.013835 0.005415 0.091199 0.019804 -0.062603 -0.082901 0.027099 0.003667 0.044452 0.010294 0.060840 0.074889 -0.001933 0.027495 0.017962 -0.025989 0.008296 0.060846 0.018221 -0.001907 0.005561 0.021804 -0.142612 0.271353 0.010274 0.181064 -0.104012 -0.023674 0.103227 0.416841 0.070089 -0.021586 -0.134402 -0.019687 -0.031423 0.036364 -0.079069 -0.238291 0.532325 -0.034794 0.003447 0.039370 0.007617 -0.002247 0.011530 -0.014958 -0.203214 0.203597 0.033002 -0.011450 0.017471 0.092132 0.238150 0.390482 0.003662 0.009207 0.048612 0.012267 0.001416 0.041846 0.001256 0.023383 0.033472 0.004416 -0.001512 0.088359 0.032180 -0.010681 -0.032343 0.028456 -0.015572 0.008496 0.005231 0.027923 0.045218 -0.063771 -0.024189 0.011744 -0.012369 -0.010039 0.082254 -0.083225 0.020824 0.125164 -0.002404 0.003919 -0.004357 -0.004634 0.004082 -0.014638 -0.024395 -0.021094 0.044723 0.022727 -0.009039 0.009745 -0.061672 0.002719 0.046687 -0.059144 -0.069871 -0.060404 0.032715 0.004291 -0.015288 0.058981 0.110603 -0.062420 -0.096723 0.207299 -0.190826 0.088724 -0.206862 -0.042975 0.098166 0.013294 0.044618 -0.040382 0.045042 0.119566 0.005450 0.012891 0.043542 0.050578 0.004426 0.005614 -0.074495 -0.441402 0.048838 -0.046310 -0.046921 -0.012125 -0.547383 0.020483 -0.333341 0.030426 0.079116 0.098413 -0.200635 -0.117748 0.138638 0.055011 0.008218 -0.002386 0.002414 0.004990 0.016855 -0.011853 0.023809 -0.186604 0.002711 0.021317 0.094473 0.021711 0.070722 -0.027165 0.033364 0.079683 0.116517 0.114686 0.053647 0.032371 0.524755 0.099232 -0.205851 -0.003800 -0.075845 -0.010423 0.188717 -0.126719 -0.484043 -0.021350 0.014723 0.133246 -0.004256 0.018344 -0.051163 0.009494 0.001372 -0.302911 0.010763 -0.004367 -0.003889 0.009946 0.049281 0.018038 -0.032103 0.454025 -0.436488 0.030770 0.060453 0.035980 -0.060010 -0.107541 0.306918 -0.118883 -0.095845 0.020476 -0.156729 0.098293 -0.554484 0.043955 0.005513 -0.093118 -0.028614 0.006265 0.085782 0.000194 -0.019210 -0.100485 0.027799 -0.024946 0.038211 -0.000600 -0.059299 0.078373 0.035473 -0.119504 -0.260391 -0.022034 -0.051066 0.002690 0.028264 -0.042378 0.062823 -0.027082 0.085133 0.018019 0.186438 0.089159 -0.492762 -0.066998 -0.002811 0.062273 0.000344 -0.021795 0.003806 -0.001920 -0.013582 -0.154324 -0.030872 -0.019906 0.020079 0.012172 -0.048809 0.018096 0.044015 0.011826 -0.031537 0.011847 0.059306 0.067826 0.003197 0.030200 0.030148 0.002976 -0.016783 0.057412 0.022318 -0.061375 0.073234 0.021527 -0.143699 0.271120 0.005334 0.189067 -0.103377 -0.023105 0.108706 0.415799 0.076525 -0.024850 -0.139117 -0.030828 -0.017270 0.022274 -0.082469 -0.238876 0.531527 -0.002713 0.003687 0.063052 0.007846 0.006636 -0.029601 -0.014821 -0.209675 0.222439 0.024544 -0.047724 0.033058 0.093110 0.238361 0.387920 -0.031405 0.062959 0.046973 0.012475 0.017881 0.004744 0.001512 0.010297 0.003688 0.004969 -0.026284 0.027622 0.024819 -0.009827 -0.019245 0.028761 0.009176 0.054556 0.000220 0.024397 0.007076 -0.068906 -0.022508 0.027221 -0.016062 0.020804 0.094995 -0.079888 0.022099 0.128913 -0.021015 0.010935 -0.015707 -0.001858 -0.005513 -0.030804 -0.019232 0.033064 0.017363 0.043678 0.007158 0.004250 -0.020897 -0.020175 0.047941 -0.059489 -0.074241 -0.061572 0.007358 -0.013096 -0.020699 0.059770 0.111035 -0.062727 -0.097301 0.206683 -0.193931 0.093010 -0.206524 -0.040845 0.096229 0.010713 0.050607 -0.045573 0.026149 0.138111 0.022760 -0.018556 0.059499 -0.028928 0.008671 0.016351 -0.071638 -0.437722 0.057686 -0.030371 -0.021641 -0.000250 -0.538023 0.021878 -0.333307 0.072219 0.100493 0.111704 -0.201626 -0.116741 0.142149 0.048060 0.019702 -0.010049 0.000632 0.002537 0.048183 -0.012858 0.026386 -0.186058 0.009185 0.022247 0.067309 0.022752 0.064336 -0.026679 0.030618 0.081990 0.126205 0.072349 0.073819 0.041462 0.514480 0.100906 -0.199809 0.002635 -0.032598 0.035867 0.189681 -0.126488 -0.502907 -0.023276 0.009862 0.101313 -0.002875 0.013915 -0.023550 0.010968 0.002041 -0.301180 0.011568 0.021582 -0.004004 0.013470 0.055136 0.016834 -0.029666 0.449333 -0.436893 0.047058 0.049027 0.043274 -0.046541 -0.109335 0.320955 -0.044882 -0.080303 0.022219 -0.156850 0.097437 -0.557738 0.035929 0.004519 -0.111393 -0.031119 0.012329 0.112331 0.000300 -0.022914 -0.097944 0.040013 -0.067494 0.021760 0.003792 -0.063770 0.087545 0.032861 -0.121121 -0.245232 -0.045737 -0.075499 0.014060 0.012807 -0.045297 0.058142 -0.075708 0.038993 -0.015520 0.187024 0.087871 -0.493468 -0.076052 -0.006109 0.042582 -0.000692 -0.011098 0.015993 -0.001629 -0.015247 -0.154178 -0.042182 -0.034684 -0.014336 0.009013 -0.041110 0.070356 0.049821 0.014425 -0.057099 0.012638 0.058381 0.065090 0.005401 0.031069 0.034038 0.015452 -0.023232 0.057953 0.026219 -0.080446 0.098654 0.021310 -0.143793 0.270938 0.003011 0.191892 -0.103543 -0.023009 0.110641 0.414999 0.078690 -0.026357 -0.140740 -0.031851 -0.010710 0.013022 -0.083433 -0.239194 0.530940 0.008151 0.004248 0.071934 0.005882 0.008855 -0.045229 -0.015141 -0.211782 0.228784 0.021322 -0.060784 0.039118 0.093649 0.238241 0.387155 -0.043421 0.082134 0.045899 0.013127 0.023557 -0.008533 0.000462 0.005418 -0.007740 0.005428 -0.036278 0.002161 0.020317 -0.009253 -0.013275 0.028681 0.018263 0.072514 -0.002082 0.023045 -0.007795 -0.070719 -0.022009 0.031443 -0.015681 0.031965 0.099323 -0.078823 0.022517 0.130416 -0.027552 0.013288 -0.019025 -0.001567 -0.008810 -0.036952 -0.017773 0.052334 0.007724 0.050891 0.012206 0.003062 -0.005864 -0.027107 0.049291 -0.059686 -0.075888 -0.062121 -0.001754 -0.019941 -0.023159 0.059894 0.110942 -0.062811 -0.097581 0.206348 -0.195134 0.094343 -0.206604 -0.040404 0.095477 0.009517 0.052268 -0.047650 0.019164 0.144636 0.028099 -0.029984 0.065015 -0.057464 0.009425 0.020095 -0.071088 -0.438421 0.059040 -0.026037 -0.013640 0.007802 -0.535217 0.021723 -0.333070 0.084000 0.109153 0.119696 -0.201926 -0.116966 0.142972 0.046362 0.021565 -0.012078 -0.000248 0.001535 0.057937 -0.013137 0.026893 -0.186699 0.009538 0.018916 0.060947 0.021901 0.063769 -0.028496 0.029603 0.081310 0.127178 0.066646 0.081979 0.048729 0.511030 0.101203 -0.198365 0.004895 -0.018408 0.053456 0.189759 -0.126913 -0.507595 -0.023299 0.007700 0.093108 -0.003276 0.012550 -0.014845 0.011186 0.001707 -0.300855 0.012808 0.027394 -0.005729 0.015269 0.057395 0.014193 -0.029084 0.449412 -0.437258 0.052152 0.047149 0.047816 -0.041452 -0.109901 0.324774 -0.022621 -0.076806 0.021237 -0.157278 0.097228 -0.560317 0.033303 0.006218 -0.114821 -0.033053 0.014934 0.121773 0.000379 -0.024131 -0.097306 0.043666 -0.079405 0.016344 0.005249 -0.066450 0.089893 0.031971 -0.120613 -0.241283 -0.054753 -0.084542 0.017977 0.006877 -0.046121 0.054245 -0.091191 0.027529 -0.025210 0.187019 0.087555 -0.494271 -0.079281 -0.005993 0.035828 -0.000281 -0.008536 0.020142 -0.001778 -0.015550 -0.154404 -0.043696 -0.038568 -0.022792 0.007867 -0.039562 0.087396 0.027508 -0.005106 -0.017052 0.015709 0.052317 0.072118 -0.002806 0.029543 0.028955 -0.071621 -0.008306 -0.007512 -0.017782 -0.010789 0.050030 0.021895 -0.141354 0.268707 0.011046 0.181883 -0.086944 -0.023120 0.116817 0.419671 0.086553 -0.024381 -0.155548 -0.014819 0.013409 0.020766 -0.088400 -0.239462 0.529961 -0.003340 -0.020317 0.026110 0.028520 0.034048 -0.023490 -0.013032 -0.198344 0.247152 0.000012 -0.004850 0.010053 0.090471 0.238849 0.386937 -0.007824 0.042792 0.042148 -0.001750 0.016474 -0.013864 -0.001422 -0.023248 0.012364 0.008376 -0.025771 -0.000468 0.017446 -0.013175 0.017724 -0.013832 0.007566 0.069648 -0.017429 0.006808 -0.006423 -0.074730 -0.027686 0.055335 0.001811 0.008947 0.043354 -0.064729 0.020236 0.126093 -0.004268 0.025581 0.005168 0.013339 -0.005796 -0.024756 0.005891 0.021627 0.008789 0.024152 0.030945 0.006378 0.008186 0.005721 0.043153 -0.061481 -0.079679 -0.064250 0.003464 -0.022545 0.006659 0.062373 0.109267 -0.061788 -0.093706 0.205338 -0.184811 0.100384 -0.205264 -0.038080 0.079620 0.016559 0.084738 -0.008333 0.010801 0.032651 -0.006076 -0.019987 0.054695 -0.005853 -0.007177 0.020887 -0.064699 -0.443189 0.065121 -0.018550 -0.037909 0.023135 -0.518840 0.025664 -0.334283 0.041521 0.071626 0.091615 -0.205047 -0.117602 0.146813 0.010444 -0.003272 0.015256 -0.003486 0.009993 0.062846 -0.015422 0.027012 -0.187556 0.014776 0.016607 0.009906 0.001248 0.048405 -0.018907 0.025968 0.071232 0.135854 0.034958 0.059265 0.028060 0.495666 0.099935 -0.170451 -0.020001 -0.001345 0.037013 0.191532 -0.125996 -0.533770 -0.003449 0.007620 0.055280 0.014705 -0.010625 0.002690 0.014183 0.003434 -0.297026 0.009812 0.016120 0.022394 0.025065 0.036373 0.010021 -0.029782 0.456886 -0.436442 0.037431 0.054250 0.012823 -0.030745 -0.112970 0.347549 0.065063 -0.050655 0.072979 -0.162087 0.098247 -0.546680 0.011950 0.006163 -0.069272 -0.023564 0.003910 0.105903 -0.001909 -0.024151 -0.095227 0.013675 -0.040726 0.020837 0.008964 -0.052877 0.056628 0.033828 -0.108356 -0.220988 -0.034986 -0.053606 0.059166 -0.009445 -0.048060 0.075785 -0.038015 -0.021175 -0.023399 0.191448 0.086612 -0.497330 -0.045655 -0.023354 0.014082 0.004782 0.015010 0.044447 0.001246 -0.016654 -0.152127 -0.018584 -0.024323 0.001499 -0.014406 -0.009808 0.060500 0.008986 -0.018805 0.024083 0.019077 0.045554 0.078302 -0.010762 0.027968 0.023069 -0.176109 0.011853 -0.063291 -0.056326 0.059649 0.001612 0.022122 -0.139103 0.266039 0.018579 0.171674 -0.071695 -0.023807 0.122566 0.423392 0.094291 -0.022372 -0.171598 0.002273 0.035279 0.022275 -0.093400 -0.239799 0.528111 -0.014621 -0.043266 -0.020990 0.049720 0.058886 -0.002379 -0.011846 -0.185779 0.262094 -0.024448 0.046516 -0.019187 0.086917 0.239031 0.385477 0.025652 0.001669 0.040794 -0.015759 0.009401 -0.015786 -0.003196 -0.049700 0.034182 0.011048 -0.015728 -0.000316 0.009527 -0.017937 0.052172 -0.055709 -0.003437 0.068031 -0.032786 -0.011272 -0.007931 -0.079317 -0.033530 0.075550 0.021816 -0.014451 -0.013572 -0.051129 0.017764 0.120415 0.018977 0.038166 0.031009 0.026274 -0.003227 -0.012959 0.028714 -0.009470 0.009605 -0.003216 0.048618 0.009990 0.021510 0.038288 0.038631 -0.063814 -0.083676 -0.067370 0.008633 -0.025251 0.034540 0.064431 0.107171 -0.061367 -0.090493 0.204041 -0.175685 0.105500 -0.204087 -0.036538 0.062560 0.023522 0.114856 0.034714 0.000301 -0.071144 -0.041559 -0.007353 0.044589 0.046078 -0.021607 0.020575 -0.058791 -0.448586 0.070260 0.000431 -0.061179 0.034207 -0.505270 0.029601 -0.334185 -0.005400 0.046682 0.066504 -0.208458 -0.118556 0.148093 -0.022949 -0.029836 0.036939 -0.001368 0.018031 0.068217 -0.017905 0.026876 -0.189321 0.013474 0.012323 -0.035571 -0.012723 0.036337 -0.009096 0.021446 0.062530 0.143510 0.002785 0.042683 0.014431 0.482333 0.098433 -0.144668 -0.041363 0.015528 0.018928 0.192887 -0.125399 -0.560439 0.016435 0.002521 0.020655 0.030672 -0.032775 0.021849 0.016415 0.004941 -0.294776 0.009421 0.005563 0.049043 0.032497 0.020401 0.006565 -0.030622 0.464181 -0.436813 0.030757 0.059129 -0.021156 -0.021582 -0.115933 0.366856 0.147094 -0.035625 0.131412 -0.166876 0.099279 -0.534992 -0.007783 0.006673 -0.032651 -0.009376 -0.007477 0.087919 -0.004624 -0.024419 -0.094325 -0.011576 0.001225 0.027048 0.012602 -0.039668 0.021910 0.034703 -0.098063 -0.202677 -0.017042 -0.023710 0.099640 -0.024392 -0.050291 0.094119 0.015218 -0.069903 -0.020237 0.195050 0.085676 -0.501015 -0.009913 -0.042407 -0.000852 0.009379 0.037937 0.071316 0.003676 -0.018005 -0.151410 0.007146 -0.009652 0.031994 -0.035511 0.016868 0.035182 0.012402 0.020361 0.043297 0.020835 0.052686 0.085388 -0.006574 0.020694 0.035927 0.286539 -0.025193 0.001981 0.058012 -0.008902 0.009367 0.022259 -0.136136 0.267781 0.014109 0.176833 -0.059365 -0.023357 0.126716 0.424009 0.104403 -0.027139 -0.151031 0.007173 -0.001542 0.041938 -0.096234 -0.239605 0.525454 -0.003440 -0.016443 0.007727 0.016356 0.034000 0.024424 -0.009128 -0.188341 0.272104 -0.013517 0.021999 0.003711 0.084046 0.238851 0.388002 0.005383 0.010280 0.016109 0.006563 0.015978 0.029119 0.004703 -0.031740 0.049456 -0.010330 -0.007812 0.032796 -0.038624 0.010774 0.019786 -0.059427 -0.003365 -0.028466 -0.019079 -0.000148 -0.003391 -0.087193 -0.032075 0.095089 -0.004221 0.016318 0.005876 -0.052196 0.020481 0.112079 0.012814 0.006183 0.019095 0.007850 -0.004754 0.046245 0.022277 -0.013281 0.011819 -0.003772 0.014216 0.023036 0.034584 0.004712 0.013595 -0.064745 -0.086720 -0.067069 -0.001154 0.008961 0.017594 0.066033 0.104473 -0.060648 -0.086985 0.202576 -0.173971 0.109222 -0.202566 -0.033539 0.067893 0.020075 0.117825 0.002716 -0.013353 -0.002488 -0.027545 -0.022326 0.034200 0.000466 -0.001048 0.023963 -0.060302 -0.457194 0.079762 -0.041251 -0.057812 0.000178 -0.493370 0.024963 -0.335698 0.019460 0.038053 0.014414 -0.210851 -0.118673 0.145451 -0.022263 -0.016653 0.028235 0.003245 0.004800 0.057287 -0.019679 0.029277 -0.189485 0.003895 0.001834 -0.038098 0.009598 0.016121 0.033619 0.026474 0.055859 0.152750 -0.065767 0.011683 0.005314 0.468396 0.101598 -0.126540 -0.038587 0.025715 0.016307 0.194721 -0.126722 -0.578573 0.002628 -0.003053 0.001216 0.016056 0.012493 0.031197 0.018734 0.004520 -0.292118 0.000356 0.020137 0.041500 -0.010176 -0.008675 -0.016638 -0.028709 0.472581 -0.437492 -0.029016 0.041715 0.017103 -0.014233 -0.112902 0.359624 -0.044940 -0.023838 0.030074 -0.168537 0.100084 -0.522754 -0.001082 -0.003151 0.002286 -0.032314 0.009444 0.015423 -0.004527 -0.027082 -0.090517 -0.005364 0.021151 0.025085 -0.014492 0.005192 0.001026 0.032017 -0.094679 -0.180717 0.015137 -0.003566 0.012340 -0.037218 -0.053430 0.118796 -0.095685 -0.005134 0.000237 0.194806 0.086763 -0.502581 0.020920 -0.016291 -0.029967 0.032677 -0.005952 0.046012 0.004317 -0.017268 -0.150169 -0.000775 -0.002820 0.041608 0.016587 0.006235 -0.004317 0.012899 0.019708 0.043211 0.021073 0.052635 0.085116 -0.006387 0.020708 0.035503 0.278732 -0.024931 0.001248 0.056093 -0.007816 0.009929 0.022249 -0.136241 0.267489 0.013935 0.176525 -0.059551 -0.023378 0.126737 0.423783 0.104327 -0.027031 -0.151353 0.006781 -0.000811 0.041424 -0.096274 -0.239609 0.525124 -0.003993 -0.016747 0.007287 0.017390 0.034415 0.023800 -0.009620 -0.187888 0.272218 -0.013491 0.022151 0.003534 0.084522 0.238855 0.388154 0.005714 0.010500 0.016580 0.005878 0.015996 0.028560 0.004578 -0.031956 0.049176 -0.009969 -0.008064 0.032298 -0.037714 0.010256 0.020463 -0.058915 -0.003596 -0.026404 -0.019356 -0.000467 -0.003577 -0.087084 -0.032139 0.094551 -0.003779 0.015835 0.006039 -0.052142 0.020369 0.112490 0.012940 0.006816 0.019581 0.007904 -0.004802 0.045152 0.022101 -0.013067 0.011961 -0.003523 0.015113 0.022981 0.034497 0.004857 0.014856 -0.064756 -0.086737 -0.067482 -0.000580 0.007697 0.018607 0.066013 0.104609 -0.060874 -0.087203 0.202609 -0.174206 0.109153 -0.202594 -0.033892 0.067632 0.020239 0.117619 0.002866 -0.013201 -0.003431 -0.027844 -0.021937 0.034582 0.001235 -0.001343 0.024141 -0.060187 -0.459259 0.079226 -0.041988 -0.058525 0.001294 -0.494737 0.025336 -0.336732 0.018535 0.037315 0.018850 -0.210818 -0.118727 0.146042 -0.023493 -0.016996 0.027716 0.003535 0.005133 0.055933 -0.019531 0.029058 -0.189752 0.004448 0.003527 -0.039983 0.008374 0.017252 0.034348 0.026233 0.055601 0.152760 -0.062132 0.012766 0.004394 0.469707 0.101513 -0.127792 -0.038202 0.026408 0.016885 0.194591 -0.126678 -0.577882 0.004392 -0.001483 0.002174 0.016878 0.011233 0.031693 0.018648 0.004334 -0.292609 0.000998 0.020413 0.042573 -0.009482 -0.008381 -0.015861 -0.028818 0.474545 -0.437363 -0.028160 0.043856 0.015649 -0.012880 -0.113120 0.359626 -0.042927 -0.023309 0.033378 -0.168711 0.099958 -0.525036 -0.001774 -0.002914 0.001417 -0.031277 0.008421 0.015221 -0.004415 -0.026878 -0.091039 -0.006439 0.019200 0.024831 -0.013637 0.003771 0.001377 0.032051 -0.094542 -0.182354 0.015296 -0.004185 0.014911 -0.037892 -0.053299 0.117944 -0.094583 -0.007022 -0.000182 0.194720 0.086725 -0.502972 0.019696 -0.017909 -0.028598 0.031733 -0.004634 0.046555 0.004214 -0.017095 -0.150544 0.000223 -0.003235 0.040940 0.015312 0.006173 -0.003719 0.011330 0.029488 0.040072 0.025540 0.056164 0.090500 -0.001127 0.020264 0.058510 -0.135736 -0.018767 0.038332 -0.046398 -0.010202 0.009799 0.022281 -0.136512 0.271206 0.007570 0.181185 -0.046612 -0.023459 0.128536 0.423389 0.110328 -0.029842 -0.118388 0.001451 -0.011146 0.023644 -0.096887 -0.238772 0.523553 0.015337 0.021870 0.036930 -0.027385 -0.020839 0.047571 -0.009012 -0.192005 0.278505 0.003911 -0.017461 0.024991 0.084247 0.238341 0.388178 0.004170 -0.027055 0.001491 0.022188 0.014218 0.039306 -0.011916 0.018507 0.035597 -0.002727 0.005750 0.036970 -0.037845 -0.010497 -0.011697 0.002063 0.007257 -0.039919 0.024634 0.004579 0.040019 -0.093431 -0.030212 0.108998 0.017968 0.027281 0.035363 -0.057476 0.024455 0.108687 -0.002777 -0.027644 0.006972 -0.012727 0.002067 0.045437 -0.003242 0.005601 0.016903 -0.000715 -0.029177 0.006577 0.022997 -0.016432 0.002384 -0.066035 -0.087632 -0.065857 -0.025320 0.022714 0.005594 0.067334 0.104782 -0.058797 -0.087545 0.200872 -0.172983 0.109898 -0.200591 -0.030987 0.064385 0.015563 0.109420 -0.010845 -0.019371 0.017668 0.011954 0.026889 0.014793 -0.027214 -0.003685 0.035687 -0.068155 -0.465222 0.090952 0.022685 -0.040327 0.005567 -0.489056 0.017401 -0.332924 0.042458 0.027874 -0.011067 -0.212075 -0.119231 0.144209 -0.005921 0.018766 -0.000294 0.009053 -0.008190 0.042547 -0.019526 0.030050 -0.190503 -0.008546 -0.000905 -0.012499 0.009323 -0.001791 0.072298 0.036663 0.051397 0.162644 -0.017676 -0.007220 0.008321 0.459166 0.105113 -0.110680 -0.014843 0.027686 0.022900 0.195691 -0.128826 -0.585071 -0.005343 -0.006353 -0.028381 -0.004768 0.030569 0.038873 0.018524 0.004121 -0.291277 -0.000597 0.019383 0.012721 -0.010233 -0.022217 -0.006221 -0.028270 0.478451 -0.436355 -0.004401 0.014892 0.052746 -0.013047 -0.104604 0.350110 0.074523 -0.012219 -0.075469 -0.169544 0.101288 -0.526067 0.041665 -0.007363 0.053267 0.001312 0.004516 -0.044659 -0.003644 -0.027705 -0.087506 0.002750 -0.002242 0.028571 -0.023533 0.026612 -0.009289 0.029484 -0.093674 -0.164089 -0.014393 0.005038 -0.043681 -0.038244 -0.054483 0.131918 0.108017 0.029034 0.015687 0.195565 0.088744 -0.503515 -0.012114 0.020176 -0.038316 0.031903 -0.023552 0.027792 0.003430 -0.016207 -0.149108 -0.007851 0.003458 0.007689 0.039801 0.009219 0.000351 0.011217 0.027582 0.041093 0.024944 0.055447 0.090345 -0.001914 0.020406 0.055065 -0.064465 -0.018197 0.034286 -0.024527 -0.009565 0.012468 0.022212 -0.136213 0.271366 0.008487 0.180325 -0.048254 -0.023440 0.128274 0.423786 0.109150 -0.029246 -0.124106 0.002928 -0.010101 0.026262 -0.096136 -0.238954 0.524535 0.012379 0.013870 0.031725 -0.020725 -0.011624 0.043089 -0.009771 -0.191283 0.277005 0.001213 -0.010882 0.021541 0.084671 0.238453 0.388796 0.005491 -0.020254 0.005329 0.020898 0.015029 0.038263 -0.008886 0.008588 0.038403 -0.003878 0.003328 0.036596 -0.039795 -0.006209 -0.004713 -0.008896 0.005233 -0.038105 0.016820 0.003760 0.032486 -0.092274 -0.030661 0.107414 0.013945 0.025593 0.030405 -0.056563 0.023607 0.109733 0.000377 -0.022044 0.009255 -0.008679 0.000752 0.044975 0.001130 0.001834 0.014880 -0.001374 -0.021433 0.009420 0.024483 -0.012322 0.005066 -0.065817 -0.087474 -0.065791 -0.021113 0.019980 0.007660 0.067060 0.104587 -0.058375 -0.087649 0.201184 -0.172684 0.109407 -0.200948 -0.031048 0.064999 0.016492 0.111537 -0.008720 -0.017958 0.014269 0.004862 0.018502 0.018435 -0.022532 -0.003552 0.035187 -0.066815 -0.465011 0.089556 0.011431 -0.045589 0.004323 -0.490125 0.018744 -0.333178 0.038631 0.030337 -0.009454 -0.212024 -0.118873 0.142495 -0.008023 0.014895 0.005836 0.007787 -0.005008 0.041832 -0.019715 0.029851 -0.189975 -0.006155 -0.001058 -0.013443 0.009787 0.001165 0.062789 0.034999 0.051841 0.161405 -0.024349 -0.005290 0.006136 0.461104 0.104570 -0.113304 -0.019297 0.027403 0.022349 0.195481 -0.128320 -0.583489 -0.004908 -0.004614 -0.026774 -0.001292 0.027151 0.038070 0.018661 0.004035 -0.291119 -0.001107 0.019152 0.017110 -0.010512 -0.020759 -0.007305 -0.028392 0.478664 -0.436698 -0.008233 0.020594 0.046994 -0.013071 -0.105971 0.351838 0.052135 -0.017057 -0.058859 -0.169548 0.100878 -0.526593 0.033983 -0.005657 0.046631 -0.004581 0.003478 -0.035471 -0.003905 -0.027559 -0.087648 0.000690 0.003235 0.026603 -0.021907 0.022209 -0.007350 0.029913 -0.093508 -0.166511 -0.010004 0.006124 -0.036771 -0.038153 -0.054354 0.129170 0.073393 0.021333 0.013671 0.195365 0.088284 -0.503174 -0.007229 0.012826 -0.036937 0.032509 -0.019794 0.029855 0.003657 -0.016275 -0.148965 -0.005147 0.005333 0.011258 0.035449 0.008687 -0.002501 0.003154 -0.005153 0.017769 0.026630 0.052919 0.092501 -0.003463 0.023583 0.060246 -0.007665 0.003842 0.007025 -0.040122 0.003043 -0.007348 0.022777 -0.139485 0.273089 0.009178 0.180087 -0.028071 -0.023729 0.127671 0.424301 0.111421 -0.028638 -0.108718 0.000617 0.020190 0.010332 -0.095641 -0.238678 0.523716 -0.005853 0.011355 0.009820 -0.011654 -0.027218 0.029771 -0.009665 -0.191252 0.280084 0.006993 -0.002145 0.012059 0.086938 0.238029 0.385828 0.008383 -0.014339 0.010221 -0.004460 -0.003947 0.019912 -0.015002 0.027070 0.008282 0.014221 0.016210 0.015726 -0.024076 -0.007526 0.011036 0.033651 0.005585 -0.004573 0.021443 -0.007878 0.029492 -0.094381 -0.032415 0.110259 0.018532 -0.003915 0.006770 -0.049464 0.025632 0.117508 -0.011508 -0.013316 0.002517 -0.004660 0.008013 0.033623 -0.014902 0.003934 0.007769 -0.000964 -0.018974 -0.003368 0.008513 -0.007362 0.010596 -0.067127 -0.087015 -0.064566 -0.007086 0.002024 0.015038 0.068589 0.106945 -0.057756 -0.090282 0.199882 -0.170580 0.108644 -0.199934 -0.029284 0.054664 0.017552 0.114015 -0.002389 -0.002108 0.004538 -0.007829 0.014723 -0.007574 -0.007328 -0.015551 0.036552 -0.075390 -0.464025 0.095760 0.013511 -0.028450 0.033423 -0.491411 0.011845 -0.326485 0.020486 0.027083 -0.006728 -0.212796 -0.119947 0.142313 -0.001869 0.017890 -0.008205 0.006491 0.002323 0.038249 -0.018027 0.028201 -0.191815 -0.007748 -0.021077 -0.009546 -0.009413 -0.000763 0.058968 0.044288 0.048778 0.167703 -0.000679 0.010227 0.014865 0.460124 0.106333 -0.098188 -0.017162 0.005072 0.017179 0.196833 -0.129593 -0.581337 0.006342 -0.000389 -0.026784 -0.004332 0.000447 0.033399 0.017103 0.003266 -0.289860 -0.002324 0.001595 0.005987 0.003348 -0.008941 0.018277 -0.029550 0.476677 -0.430576 0.011963 0.023987 0.032397 -0.023274 -0.099066 0.347175 0.015109 -0.006888 -0.028449 -0.171640 0.101800 -0.541075 0.002011 0.000232 0.065876 -0.000333 -0.012469 -0.031619 -0.002950 -0.026233 -0.086594 -0.006802 0.006271 0.019571 0.005952 0.010950 0.000528 0.030750 -0.090566 -0.159878 0.002164 0.007571 0.009514 -0.029354 -0.053626 0.131395 0.045485 0.009625 0.003778 0.197512 0.089367 -0.503178 -0.002681 0.015745 -0.016751 0.022794 0.012506 0.030603 0.003011 -0.015715 -0.147497 0.001116 0.003468 0.001000 -0.003753 0.015047 0.018047 -0.005816 -0.033710 -0.000659 0.028611 0.050408 0.095352 -0.004955 0.027041 0.066003 0.046778 0.025443 -0.018525 -0.055862 0.014277 -0.025100 0.023474 -0.142634 0.275690 0.009932 0.179819 -0.006786 -0.024058 0.127053 0.425153 0.113685 -0.027670 -0.092823 0.003182 0.048653 -0.006199 -0.094368 -0.238221 0.523614 -0.019840 0.008572 -0.013605 -0.003055 -0.044345 0.014167 -0.010095 -0.191383 0.283041 0.011554 0.006947 0.003631 0.089448 0.237639 0.383190 0.010705 -0.009672 0.017885 -0.031368 -0.023989 0.001364 -0.017691 0.045041 -0.020373 0.032678 0.031083 -0.009629 -0.007632 -0.009715 0.029007 0.076931 0.005596 0.028064 0.026431 -0.018338 0.026739 -0.096552 -0.034231 0.114034 0.021940 -0.035993 -0.016281 -0.042233 0.027710 0.125932 -0.023562 -0.003714 -0.003651 -0.000791 0.015410 0.020281 -0.031547 0.005887 -0.000223 -0.000183 -0.016700 -0.017574 -0.010334 -0.002415 0.018479 -0.068453 -0.086223 -0.062814 0.008158 -0.017614 0.021685 0.070230 0.109397 -0.056220 -0.093138 0.198652 -0.168079 0.107397 -0.198751 -0.027037 0.043909 0.018761 0.116992 0.006137 0.015585 -0.006209 -0.018920 0.009230 -0.034703 0.010836 -0.028010 0.035379 -0.083415 -0.462410 0.102238 0.020718 -0.009301 0.057697 -0.492591 0.005288 -0.319293 0.002215 0.025573 -0.001894 -0.213424 -0.120845 0.140373 0.007361 0.025100 -0.019396 0.005513 0.014521 0.031346 -0.016325 0.026891 -0.193171 -0.010340 -0.043973 -0.001863 -0.030361 -0.005200 0.050531 0.053248 0.045890 0.174222 0.021678 0.022414 0.021845 0.459030 0.108187 -0.082708 -0.014441 -0.026491 0.016536 0.198104 -0.130859 -0.578374 0.015649 0.004353 -0.029224 -0.008520 -0.025625 0.032252 0.015660 0.002818 -0.288442 -0.006425 -0.017622 -0.011990 0.017239 0.001630 0.048844 -0.030409 0.474312 -0.424614 0.027396 0.020886 0.022621 -0.035311 -0.091981 0.342668 -0.020783 0.007473 -0.003604 -0.173736 0.102707 -0.554487 -0.032826 0.003635 0.085929 0.005151 -0.030142 -0.030160 -0.001945 -0.025002 -0.085262 -0.014056 0.010039 0.007457 0.035509 -0.001515 0.015156 0.031284 -0.087375 -0.152764 0.009930 0.013049 0.054849 -0.018524 -0.052939 0.132766 0.010741 -0.003884 -0.007945 0.199565 0.090596 -0.502712 0.001803 0.021404 0.002184 0.014170 0.045084 0.031468 0.002386 -0.015196 -0.145635 0.011162 0.006400 -0.009455 -0.043645 0.027236 0.032815 -0.016626 -0.010716 -0.006270 0.025217 0.049904 0.098062 -0.005602 0.030088 0.072403 0.018395 -0.005931 0.013341 0.063068 0.014699 0.014531 0.023317 -0.149258 0.278559 0.008343 0.182937 0.001363 -0.023926 0.125079 0.425077 0.114285 -0.028443 -0.085375 0.010505 0.025101 -0.009784 -0.092233 -0.237800 0.523988 -0.010714 0.007587 -0.013577 -0.014435 -0.030820 0.006444 -0.010106 -0.193199 0.283289 0.011443 0.002785 -0.002506 0.094442 0.236935 0.381051 -0.006193 -0.006031 0.009330 -0.019780 -0.018313 0.008832 0.004987 0.027816 -0.010977 0.010000 0.025805 -0.009025 -0.009173 0.008776 0.032078 0.062453 0.003765 0.027829 0.021895 -0.002490 0.021161 -0.096050 -0.033980 0.115541 0.015827 -0.013857 -0.011307 -0.041224 0.030485 0.133238 -0.026422 0.004601 -0.008954 0.007036 0.005951 0.009324 -0.027683 0.005152 -0.007961 -0.003073 -0.008200 -0.003403 -0.018979 -0.006697 0.007379 -0.069123 -0.084296 -0.060317 0.007405 -0.006257 0.005640 0.070771 0.114718 -0.056182 -0.098768 0.197105 -0.170071 0.105476 -0.197617 -0.025486 0.043973 0.017801 0.123908 0.011351 0.007102 -0.012347 0.008264 -0.000605 -0.017482 0.005299 -0.001998 0.025006 -0.087641 -0.452361 0.102035 -0.015494 -0.009141 0.030141 -0.492152 -0.002037 -0.316923 -0.003234 0.013438 0.004847 -0.214029 -0.121891 0.140875 0.005480 0.009325 -0.018269 0.002594 0.002212 0.027271 -0.014543 0.024925 -0.193183 -0.011864 -0.030131 0.002639 -0.015954 -0.002564 0.034869 0.057431 0.049941 0.173608 -0.008124 0.013905 0.021387 0.459719 0.109232 -0.075790 -0.005963 -0.029019 0.007165 0.198469 -0.133037 -0.568890 0.008324 0.004460 -0.017644 -0.011885 -0.010523 0.021296 0.013907 0.001388 -0.287694 -0.008991 -0.021300 -0.013431 -0.009047 -0.001048 0.035591 -0.028176 0.464599 -0.413699 0.011116 0.028818 0.012172 -0.053904 -0.088289 0.351514 -0.007101 0.006643 0.008363 -0.172453 0.103202 -0.579425 -0.019763 -0.001091 0.081612 0.005615 -0.006460 -0.035065 -0.000389 -0.023334 -0.082713 -0.016039 0.011580 0.000341 0.026082 -0.000280 0.005237 0.027624 -0.090181 -0.149488 0.008342 0.004820 0.037877 -0.001060 -0.053170 0.140635 0.006453 -0.004222 -0.001561 0.199595 0.092299 -0.501452 0.011597 0.014642 0.009782 0.009109 0.026870 0.016190 0.000820 -0.013936 -0.144711 0.016138 0.007455 -0.005037 -0.024255 0.016584 0.033174 -0.031815 0.016629 -0.013866 0.021156 0.049096 0.101822 -0.006321 0.033938 0.080345 -0.021642 -0.045482 0.050548 0.211539 0.018995 0.064324 0.023168 -0.156809 0.282030 0.006478 0.186849 0.011166 -0.023701 0.122606 0.424983 0.114894 -0.029349 -0.075771 0.016436 -0.004500 -0.015727 -0.089898 -0.237309 0.524314 -0.003800 0.006915 -0.013146 -0.028280 -0.012705 -0.002968 -0.009654 -0.195326 0.284123 0.012983 -0.002704 -0.010278 0.100288 0.236020 0.378641 -0.025178 -0.000600 -0.001550 -0.008138 -0.011579 0.017962 0.036015 0.007297 0.002977 -0.018826 0.018976 -0.008707 -0.008936 0.031664 0.037001 0.043667 0.001112 0.028164 0.016608 0.016315 0.014893 -0.095318 -0.033645 0.118139 0.007294 0.013688 -0.004750 -0.040217 0.033698 0.142346 -0.030022 0.013908 -0.014830 0.017074 -0.006121 -0.002568 -0.022336 0.004346 -0.016887 -0.007434 0.001649 0.013554 -0.030468 -0.014534 -0.002430 -0.069858 -0.082069 -0.056959 0.008540 0.008290 -0.015885 0.071472 0.120661 -0.055813 -0.105175 0.195202 -0.172167 0.103127 -0.196306 -0.023392 0.044036 0.016471 0.132708 0.018355 -0.001913 -0.019327 0.044314 -0.011502 0.003446 -0.002207 0.032837 0.010783 -0.093663 -0.441707 0.101279 -0.051722 0.006635 -0.004217 -0.492522 -0.011724 -0.314227 -0.010653 -0.005429 0.009902 -0.214662 -0.123642 0.142802 0.002543 -0.015465 -0.020185 0.001414 -0.016502 0.017091 -0.012356 0.022675 -0.193437 -0.010648 -0.015084 0.009717 -0.000955 0.001953 0.016579 0.063363 0.054449 0.172090 -0.051951 0.005488 0.018055 0.461483 0.110453 -0.066119 0.006550 -0.037311 -0.009481 0.199190 -0.135838 -0.557616 -0.000688 0.002529 -0.003254 -0.013457 0.005208 0.009659 0.011814 -0.000443 -0.286761 -0.013879 -0.025400 -0.021490 -0.043479 -0.003501 0.020925 -0.025944 0.454145 -0.400320 -0.000967 0.031423 0.000118 -0.076120 -0.083557 0.361442 0.004309 0.010793 0.024964 -0.171125 0.104083 -0.607729 -0.002409 -0.004215 0.080367 0.012237 0.025542 -0.040504 0.001390 -0.021459 -0.079856 -0.023219 0.018231 -0.007018 0.011982 0.000349 -0.008573 0.023685 -0.093177 -0.144651 0.011880 -0.004751 0.018217 0.019452 -0.053335 0.150885 -0.000609 -0.005428 0.008347 0.200004 0.094378 -0.499828 0.024356 0.004430 0.023362 -0.005893 0.000512 -0.005689 -0.000895 -0.012458 -0.143414 0.024621 0.008423 -0.002169 -0.000678 0.004020 0.033483 -0.029920 0.016195 -0.012061 0.020704 0.048640 0.108328 -0.006865 0.036042 0.086111 -0.001375 -0.005657 0.051118 0.002284 -0.009291 0.049065 0.022721 -0.163634 0.284087 0.004937 0.192128 0.014724 -0.023501 0.120818 0.424247 0.114302 -0.027385 -0.072944 0.010586 -0.016483 -0.005569 -0.088250 -0.236279 0.524543 0.006450 0.006971 -0.012273 -0.020595 -0.001901 0.015081 -0.012031 -0.198336 0.283902 0.003331 -0.005435 -0.007540 0.105191 0.235142 0.376544 -0.013098 0.008686 -0.000575 -0.003298 0.002791 0.007718 0.037838 0.000752 -0.000021 -0.022656 0.008719 0.006717 0.008414 0.038802 0.030958 0.018542 -0.005350 0.014070 0.013765 0.022710 0.006036 -0.093969 -0.032900 0.120136 0.003304 0.009699 0.004718 -0.042296 0.034743 0.151442 -0.013768 0.012508 0.001721 0.008789 -0.001487 -0.005478 -0.011319 0.004146 -0.013716 -0.007186 0.006552 0.006291 -0.021491 0.011082 -0.018428 -0.069891 -0.079959 -0.055418 0.006218 0.009399 -0.009870 0.071184 0.126365 -0.054949 -0.111022 0.194008 -0.176452 0.101191 -0.195083 -0.022438 0.049918 0.015968 0.138721 0.011467 -0.008502 -0.006226 0.035879 -0.021172 0.011192 -0.003494 0.020228 0.001569 -0.095986 -0.429664 0.099787 0.020050 0.011698 0.000122 -0.491349 -0.017444 -0.316462 -0.017421 -0.019692 0.008699 -0.214843 -0.125139 0.147661 0.001322 -0.014835 -0.022599 -0.001897 -0.011530 0.002200 -0.009905 0.021485 -0.192870 -0.008846 0.004952 0.011087 -0.003651 0.002778 0.016372 0.064175 0.061155 0.172091 0.019933 -0.006322 0.007060 0.461620 0.109785 -0.064434 0.014499 -0.022237 -0.010270 0.199115 -0.137693 -0.547210 -0.011905 -0.003116 0.004915 -0.013666 0.008105 0.002816 0.008973 -0.001604 -0.286550 -0.006836 -0.014187 -0.017763 -0.017202 -0.006352 0.019244 -0.024012 0.440771 -0.393902 -0.003136 0.018299 -0.013235 -0.093706 -0.081627 0.373102 0.002510 0.015113 0.024031 -0.168759 0.105585 -0.630631 0.013857 -0.012274 0.068639 0.012882 0.022166 -0.033165 0.002862 -0.020068 -0.077581 -0.010687 0.008660 -0.008235 0.004614 0.003750 -0.013208 0.020092 -0.098288 -0.140180 0.010251 -0.009616 -0.009111 0.037028 -0.052263 0.164658 -0.006587 -0.007848 0.021006 0.199191 0.096146 -0.497879 0.027200 0.005854 0.024985 -0.008582 -0.009726 -0.016990 -0.002590 -0.010963 -0.142526 0.017290 0.003575 0.000533 0.013110 -0.001629 0.020715 -0.028465 0.015145 -0.010747 0.020630 0.048347 0.110295 -0.006920 0.036653 0.087640 0.005964 0.006533 0.051345 -0.070204 -0.016029 0.045212 0.022705 -0.165748 0.284356 0.004615 0.193861 0.015414 -0.023281 0.120114 0.423519 0.114317 -0.026789 -0.072480 0.009184 -0.021661 -0.001999 -0.087658 -0.236046 0.524394 0.010791 0.007034 -0.012558 -0.020181 0.001677 0.020666 -0.012738 -0.199431 0.282827 0.000286 -0.005924 -0.007315 0.107260 0.234752 0.375861 -0.008755 0.012216 -0.001254 0.000177 0.007062 0.003197 0.038560 -0.000640 -0.001092 -0.023559 0.003492 0.011392 0.013450 0.041204 0.030539 0.009543 -0.007453 0.008675 0.013075 0.024656 0.003772 -0.093404 -0.032648 0.121014 0.002713 0.009376 0.007904 -0.042916 0.034901 0.154203 -0.008690 0.011703 0.006720 0.006149 -0.000213 -0.006521 -0.007675 0.003316 -0.013783 -0.007202 0.007976 0.003590 -0.018496 0.019061 -0.023393 -0.069771 -0.079454 -0.055076 0.005609 0.009945 -0.008307 0.071242 0.128059 -0.054864 -0.112969 0.193501 -0.178306 0.100482 -0.194776 -0.022524 0.052090 0.015508 0.140388 0.009718 -0.010306 -0.002931 0.033649 -0.023634 0.014286 -0.002960 0.016203 -0.001521 -0.096182 -0.427304 0.097283 0.041135 0.009906 0.000699 -0.491262 -0.019364 -0.317406 -0.020109 -0.017994 0.008518 -0.214648 -0.125766 0.146818 0.000951 -0.016779 -0.021217 -0.004725 -0.009401 -0.000707 -0.009174 0.021178 -0.193407 -0.009706 0.009235 0.014976 -0.003177 0.003738 0.012639 0.064368 0.063517 0.169672 0.040437 -0.010570 0.008783 0.462331 0.109422 -0.064155 0.017034 -0.017960 -0.008898 0.199355 -0.138462 -0.546131 -0.014977 -0.006599 0.008658 -0.014107 0.010424 -0.000074 0.008465 -0.001953 -0.287183 -0.005445 -0.011469 -0.013954 -0.009933 -0.004633 0.020850 -0.023250 0.437945 -0.392529 -0.005347 0.013421 -0.017972 -0.098020 -0.081127 0.375682 0.003993 0.012514 0.023477 -0.168066 0.105829 -0.638907 0.020325 -0.009178 0.070655 0.012319 0.021090 -0.031366 0.003272 -0.019886 -0.077289 -0.006961 0.005323 -0.007999 0.001450 0.005101 -0.013126 0.019127 -0.100350 -0.139548 0.009548 -0.011415 -0.017252 0.041227 -0.051985 0.167398 -0.008694 -0.008512 0.026461 0.199119 0.096709 -0.498021 0.027880 0.008635 0.025524 -0.002881 -0.012957 -0.020195 -0.002790 -0.010719 -0.142788 0.014583 0.002565 0.001390 0.016173 -0.003717 0.018109 -0.014231 -0.006883 -0.002083 0.018984 0.047146 0.114745 -0.005770 0.036308 0.089690 0.005653 0.016417 0.022979 -0.013698 -0.008335 0.006964 0.022752 -0.169328 0.285069 0.003987 0.195259 0.017919 -0.023155 0.119866 0.423275 0.113559 -0.026181 -0.074172 -0.003022 -0.003419 -0.002154 -0.087758 -0.235535 0.524695 0.009898 0.002905 -0.009476 -0.004893 -0.001855 0.015116 -0.013617 -0.200234 0.284165 -0.001541 -0.003024 -0.003887 0.109705 0.234245 0.375367 0.004374 0.008901 0.003617 -0.007972 0.008819 0.007086 0.020769 0.008568 -0.008896 -0.002919 -0.001868 0.008711 0.012023 0.020724 0.023229 0.008885 -0.009495 0.008818 0.010203 0.012504 0.000739 -0.092920 -0.031111 0.121270 0.003458 0.003076 0.005299 -0.043750 0.035513 0.161926 -0.001150 0.007116 0.007751 0.001108 0.009854 -0.008338 -0.005315 0.002719 -0.002581 -0.010102 0.007405 0.005932 -0.018015 0.017044 -0.022177 -0.069372 -0.079100 -0.054312 0.006192 -0.002231 0.002653 0.070918 0.131148 -0.054988 -0.115345 0.193232 -0.180129 0.100914 -0.194497 -0.022432 0.055613 0.014603 0.142805 0.004934 -0.004619 0.006940 0.015691 -0.014568 -0.000263 0.000062 0.009597 -0.001156 -0.095820 -0.421395 0.100441 0.013795 0.007987 0.010596 -0.490311 -0.019760 -0.320265 -0.010278 -0.017506 0.006713 -0.214568 -0.125956 0.151815 0.000380 -0.003169 -0.026216 -0.006616 -0.001539 -0.001568 -0.008644 0.020555 -0.192625 -0.007586 0.013301 0.014285 -0.003003 0.002430 0.016713 0.062814 0.066707 0.172190 0.017212 -0.012528 0.010120 0.461486 0.107641 -0.065228 0.005904 -0.005467 -0.006166 0.199387 -0.139097 -0.543886 -0.014023 -0.002413 0.007578 -0.011319 0.005885 -0.005278 0.008084 -0.002393 -0.287371 -0.005300 -0.005228 -0.007812 -0.007068 -0.003655 0.026416 -0.022690 0.429947 -0.391718 0.000084 -0.001183 -0.013157 -0.102723 -0.081332 0.382106 0.006189 0.025365 0.021101 -0.166800 0.106295 -0.650246 0.015657 -0.006917 0.058609 0.008179 0.013042 -0.019981 0.003947 -0.019212 -0.076658 0.004716 -0.001975 -0.012508 0.005018 0.002467 -0.003461 0.018727 -0.103059 -0.137220 0.007206 0.000876 -0.014870 0.048290 -0.050795 0.175256 -0.006923 -0.009459 0.030330 0.198746 0.097347 -0.496919 0.020070 0.006409 0.022517 -0.005658 -0.006855 -0.016530 -0.003288 -0.010055 -0.142097 0.004407 -0.001944 -0.002920 0.007184 -0.004046 0.008196 0.003060 -0.037873 0.007961 0.016498 0.045372 0.120609 -0.004332 0.035861 0.092155 0.003275 0.029025 -0.013634 0.062083 -0.001933 -0.041151 0.022660 -0.173955 0.285070 0.003098 0.197325 0.020513 -0.023018 0.119602 0.422387 0.112278 -0.025094 -0.076738 -0.016830 0.016390 -0.002364 -0.088180 -0.234843 0.524564 0.009614 -0.002471 -0.005393 0.012937 -0.005470 0.007028 -0.014161 -0.201471 0.284883 -0.006148 0.001425 0.000715 0.112591 0.233411 0.374240 0.021288 0.004502 0.010283 -0.016276 0.009825 0.011181 -0.007363 0.019987 -0.019103 0.023455 -0.006889 0.004832 0.010650 -0.008660 0.014716 0.006228 -0.012450 0.007933 0.007095 -0.004604 -0.002487 -0.092329 -0.028529 0.121946 0.005173 -0.006290 0.000899 -0.045060 0.036004 0.170872 0.008486 0.001264 0.008288 -0.005521 0.022580 -0.010260 -0.002862 0.001067 0.011197 -0.015174 0.006441 0.008632 -0.015614 0.014917 -0.023284 -0.068970 -0.078761 -0.053029 0.007646 -0.018025 0.016781 0.070438 0.134971 -0.055193 -0.118446 0.192705 -0.183084 0.101395 -0.194127 -0.022825 0.060358 0.012758 0.146169 -0.000788 0.002169 0.018428 -0.007372 -0.004589 -0.019154 0.003853 0.001203 -0.000424 -0.094931 -0.412886 0.100952 -0.018450 0.005164 0.028223 -0.487896 -0.020556 -0.323736 0.000091 -0.009275 0.003066 -0.214540 -0.126533 0.158261 0.001448 0.014238 -0.028960 -0.004818 0.009464 -0.003124 -0.008171 0.019815 -0.192460 0.000270 0.019915 0.015441 -0.000719 0.002169 0.011132 0.060184 0.070510 0.169915 -0.020766 -0.015419 0.015815 0.459036 0.105272 -0.066717 -0.009173 0.013993 -0.001979 0.199230 -0.140142 -0.541799 -0.010808 -0.000118 0.007560 -0.006901 -0.001996 -0.012226 0.007560 -0.002915 -0.288088 -0.006032 0.000744 0.003904 -0.001726 0.003463 0.031285 -0.022018 0.418574 -0.390667 0.008038 -0.016511 -0.006805 -0.109092 -0.081501 0.390275 0.008300 0.034916 0.020070 -0.165241 0.106968 -0.664148 0.008845 -0.000637 0.043280 0.004960 -0.001085 0.003361 0.004727 -0.018559 -0.075987 0.020585 -0.007910 -0.013551 0.011977 -0.000852 0.009065 0.018204 -0.106228 -0.134629 0.003132 0.015653 -0.007746 0.057260 -0.049341 0.184507 -0.003011 -0.008774 0.036031 0.198254 0.098236 -0.495916 0.006166 0.004889 0.018321 -0.010020 0.002996 -0.011261 -0.004077 -0.009342 -0.141666 -0.011087 -0.007353 -0.008231 -0.004503 -0.001811 -0.004928 0.003312 -0.008578 0.006488 0.015521 0.045540 0.120708 -0.002450 0.034499 0.094291 0.002827 0.011583 0.001010 -0.009264 -0.008466 -0.005218 0.022700 -0.179043 0.284684 0.003103 0.198418 0.022297 -0.022964 0.119141 0.421970 0.112232 -0.024270 -0.083514 -0.009705 0.011436 0.002646 -0.089435 -0.234548 0.523826 0.006220 -0.005925 0.003643 0.007568 0.002389 0.010255 -0.014272 -0.200807 0.291426 -0.008041 -0.002770 0.002009 0.115362 0.232980 0.373542 0.008746 0.001930 -0.000247 -0.000562 -0.002431 0.007575 -0.007812 0.012673 -0.010058 0.016095 0.000883 -0.007795 0.007829 -0.011332 0.003425 -0.000916 -0.005454 0.008162 -0.002043 -0.005515 -0.003836 -0.093510 -0.026538 0.122276 0.006350 -0.005705 -0.003354 -0.045173 0.036395 0.177293 0.006869 0.000499 0.008268 -0.003263 0.009018 -0.010449 -0.001327 0.004597 0.014426 -0.004033 0.005021 0.007011 -0.006837 0.009720 -0.003433 -0.068826 -0.078036 -0.052147 0.004000 -0.013041 0.006994 0.070339 0.139910 -0.055367 -0.121273 0.192465 -0.184646 0.102917 -0.193959 -0.022974 0.062686 0.011255 0.151083 0.005656 0.000828 0.019976 -0.000247 0.008411 -0.015177 0.005224 0.000699 -0.000542 -0.095106 -0.404200 0.100444 0.009042 0.005589 0.022789 -0.485420 -0.020193 -0.326076 -0.006865 -0.012440 -0.000380 -0.214894 -0.127640 0.169948 0.001623 0.012901 -0.021221 -0.001912 0.007931 -0.006827 -0.007873 0.018183 -0.192655 0.002656 0.021126 0.009187 -0.001866 -0.000567 0.011659 0.059162 0.074078 0.170407 -0.006667 -0.007560 0.004135 0.455723 0.104205 -0.067115 0.001875 0.022697 -0.001190 0.199587 -0.141348 -0.539012 -0.003508 0.002333 -0.004376 -0.001434 -0.008562 -0.014785 0.007258 -0.004480 -0.288410 0.000067 0.006579 0.005355 0.012724 -0.000552 0.009914 -0.021902 0.408261 -0.384334 -0.000913 -0.008412 -0.000902 -0.115992 -0.081748 0.398171 0.003048 0.030540 0.014961 -0.164034 0.107809 -0.678609 -0.002988 0.001949 0.019437 0.001921 0.001347 0.010220 0.004977 -0.016881 -0.076287 0.016430 -0.013763 -0.014378 0.005370 0.001076 0.011717 0.019030 -0.109286 -0.135172 0.005996 0.016156 0.001038 0.066369 -0.049396 0.189272 0.006654 -0.002960 0.025990 0.198168 0.099062 -0.495661 -0.004977 -0.003219 0.012085 -0.010432 0.011845 -0.007165 -0.004224 -0.007711 -0.141590 -0.000110 -0.009988 -0.004891 -0.000166 -0.006632 -0.012219</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="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <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 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a42" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a52" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a74" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.32969"
                           xFract="0.74996327"
                           y3="-0.00475"
                           yFract="-0.0005628"
                           z3="8.42996"
                           zFract="0.37938614"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00059"
                           xFract="0.00006991"
                           y3="4.21734"
                           yFract="0.49968483"
                           z3="6.33707"
                           zFract="0.28519667"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32825"
                           xFract="0.74979265"
                           y3="2.12057"
                           yFract="0.25125237"
                           z3="6.34235"
                           zFract="0.28543429"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1102"
                           xFract="0.2500237"
                           y3="0.00043"
                           yFract="0.00005095"
                           z3="8.43389"
                           zFract="0.37956301"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2143"
                           xFract="0.49932464"
                           y3="6.32836"
                           yFract="0.74980569"
                           z3="4.22219"
                           zFract="0.19001755"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.00169"
                           xFract="0.00020024"
                           y3="2.11437"
                           yFract="0.25051777"
                           z3="8.42507"
                           zFract="0.37916607"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.33052"
                           xFract="0.75006161"
                           y3="0.01432"
                           yFract="0.00169668"
                           z3="4.20393"
                           zFract="0.18919577"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33035"
                           xFract="0.75004147"
                           y3="6.31677"
                           yFract="0.74843246"
                           z3="6.3413"
                           zFract="0.28538704"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.21828"
                           xFract="0.49979621"
                           y3="2.1152"
                           yFract="0.25061611"
                           z3="8.42425"
                           zFract="0.37912916"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00262"
                           xFract="0.00031043"
                           y3="6.32561"
                           yFract="0.74947986"
                           z3="8.43172"
                           zFract="0.37946535"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.21739"
                           xFract="0.49969076"
                           y3="6.32483"
                           yFract="0.74938744"
                           z3="8.42822"
                           zFract="0.37930783"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.11225"
                           xFract="0.25026659"
                           y3="2.11391"
                           yFract="0.25046327"
                           z3="6.34482"
                           zFract="0.28554545"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.32859"
                           xFract="0.74983294"
                           y3="4.21328"
                           yFract="0.49920379"
                           z3="4.22369"
                           zFract="0.19008506"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.1129"
                           xFract="0.2503436"
                           y3="4.21717"
                           yFract="0.49966469"
                           z3="8.46841"
                           zFract="0.38111656"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.21697"
                           xFract="0.499641"
                           y3="4.21848"
                           yFract="0.49981991"
                           z3="6.34395"
                           zFract="0.2855063"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.22012"
                           xFract="0.50001422"
                           y3="2.10924"
                           yFract="0.24990995"
                           z3="4.21978"
                           zFract="0.18990909"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32786"
                           xFract="0.74974645"
                           y3="4.22233"
                           yFract="0.50027607"
                           z3="8.4614"
                           zFract="0.38080108"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11071"
                           xFract="0.25008412"
                           y3="0.00542"
                           yFract="0.00064218"
                           z3="4.22124"
                           zFract="0.1899748"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.0002"
                           xFract="-0.0000237"
                           y3="2.11052"
                           yFract="0.25006161"
                           z3="4.21864"
                           zFract="0.18985779"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.21136"
                           xFract="0.4989763"
                           y3="0.00317"
                           yFract="0.00037559"
                           z3="6.33823"
                           zFract="0.28524887"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.00099"
                           xFract="0.0001173"
                           y3="6.32876"
                           yFract="0.74985308"
                           z3="4.22313"
                           zFract="0.19005986"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11028"
                           xFract="0.25003318"
                           y3="4.21253"
                           yFract="0.49911493"
                           z3="4.22483"
                           zFract="0.19013636"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.11209"
                           xFract="0.25024763"
                           y3="6.32685"
                           yFract="0.74962678"
                           z3="6.34798"
                           zFract="0.28568767"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.00861"
                           xFract="0.00102014"
                           y3="0.00381"
                           yFract="0.00045142"
                           z3="6.34091"
                           zFract="0.28536949"/>
                     <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="-0.02281"
                           xFract="-0.00270261"
                           y3="2.13539"
                           yFract="0.25300829"
                           z3="6.3393"
                           zFract="0.28529703"/>
                     <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="2.10497"
                           xFract="0.24940403"
                           y3="-0.00001"
                           yFract="-0.00000118"
                           z3="6.34073"
                           zFract="0.28536139"/>
                     <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="-0.01486"
                           xFract="-0.00176066"
                           y3="-0.00397"
                           yFract="-0.00047038"
                           z3="4.19901"
                           zFract="0.18897435"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00145"
                           xFract="-0.0001718"
                           y3="0.00271"
                           yFract="0.00032109"
                           z3="8.45789"
                           zFract="0.38064311"/>
                     <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="2.10677"
                           xFract="0.2496173"
                           y3="2.10788"
                           yFract="0.24974882"
                           z3="4.2119"
                           zFract="0.18955446"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10974"
                           xFract="0.24996919"
                           y3="2.09376"
                           yFract="0.24807583"
                           z3="8.44448"
                           zFract="0.3800396"/>
                     <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="4.24198"
                           xFract="0.50260427"
                           y3="2.1135"
                           yFract="0.25041469"
                           z3="6.33896"
                           zFract="0.28528173"/>
                     <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="6.33548"
                           xFract="0.75064929"
                           y3="0.00289"
                           yFract="0.00034242"
                           z3="6.32546"
                           zFract="0.28467417"/>
                     <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="4.23759"
                           xFract="0.50208412"
                           y3="-0.01861"
                           yFract="-0.00220498"
                           z3="4.21709"
                           zFract="0.18978803"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22151"
                           xFract="0.50017891"
                           y3="0.00318"
                           yFract="0.00037678"
                           z3="8.45915"
                           zFract="0.38069982"/>
                     <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="6.33328"
                           xFract="0.75038863"
                           y3="2.09418"
                           yFract="0.24812559"
                           z3="4.22645"
                           zFract="0.19020927"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33042"
                           xFract="0.75004976"
                           y3="2.09123"
                           yFract="0.24777607"
                           z3="8.42945"
                           zFract="0.37936319"/>
                     <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="-0.02077"
                           xFract="-0.0024609"
                           y3="6.30874"
                           yFract="0.74748104"
                           z3="6.3376"
                           zFract="0.28522052"/>
                     <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="2.08018"
                           xFract="0.24646682"
                           y3="4.22126"
                           yFract="0.50014929"
                           z3="6.29439"
                           zFract="0.28327588"/>
                     <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="0.00036"
                           xFract="0.00004265"
                           y3="4.22269"
                           yFract="0.50031872"
                           z3="4.24277"
                           zFract="0.19094374"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0035"
                           xFract="-0.00041469"
                           y3="4.21789"
                           yFract="0.49975"
                           z3="8.42894"
                           zFract="0.37934023"/>
                     <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="2.12388"
                           xFract="0.25164455"
                           y3="6.33138"
                           yFract="0.75016351"
                           z3="4.20481"
                           zFract="0.18923537"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10911"
                           xFract="0.24989455"
                           y3="6.34697"
                           yFract="0.75201066"
                           z3="8.45936"
                           zFract="0.38070927"/>
                     <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="4.2428"
                           xFract="0.50270142"
                           y3="6.32948"
                           yFract="0.74993839"
                           z3="6.31731"
                           zFract="0.28430738"/>
                     <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="6.36113"
                           xFract="0.75368839"
                           y3="4.20874"
                           yFract="0.49866588"
                           z3="6.29947"
                           zFract="0.2835045"/>
                     <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="4.21905"
                           xFract="0.49988744"
                           y3="4.23594"
                           yFract="0.50188863"
                           z3="4.22587"
                           zFract="0.19018317"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22342"
                           xFract="0.50040521"
                           y3="4.21754"
                           yFract="0.49970853"
                           z3="8.44395"
                           zFract="0.38001575"/>
                     <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="6.31246"
                           xFract="0.7479218"
                           y3="6.3545"
                           yFract="0.75290284"
                           z3="4.22729"
                           zFract="0.19024707"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33092"
                           xFract="0.750109"
                           y3="6.34868"
                           yFract="0.75221327"
                           z3="8.44051"
                           zFract="0.37986094"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a42" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a52" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a74" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.32926"
                           xFract="0.74991232"
                           y3="-0.01131"
                           yFract="-0.00134005"
                           z3="8.41666"
                           zFract="0.37878758"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00141"
                           xFract="0.00016706"
                           y3="4.21368"
                           yFract="0.49925118"
                           z3="6.3474"
                           zFract="0.28566157"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32584"
                           xFract="0.74950711"
                           y3="2.13515"
                           yFract="0.25297986"
                           z3="6.35996"
                           zFract="0.28622682"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.11049"
                           xFract="0.25005806"
                           y3="0.00102"
                           yFract="0.00012085"
                           z3="8.42601"
                           zFract="0.37920837"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.20644"
                           xFract="0.49839336"
                           y3="6.3261"
                           yFract="0.74953791"
                           z3="4.22549"
                           zFract="0.19016607"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.00402"
                           xFract="0.0004763"
                           y3="2.12041"
                           yFract="0.25123341"
                           z3="8.40502"
                           zFract="0.37826373"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.33123"
                           xFract="0.75014573"
                           y3="0.03408"
                           yFract="0.00403791"
                           z3="4.18205"
                           zFract="0.18821107"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33084"
                           xFract="0.75009953"
                           y3="6.29852"
                           yFract="0.74627014"
                           z3="6.35746"
                           zFract="0.28611431"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2159"
                           xFract="0.49951422"
                           y3="2.12236"
                           yFract="0.25146445"
                           z3="8.40308"
                           zFract="0.37817642"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00624"
                           xFract="0.00073934"
                           y3="6.31954"
                           yFract="0.74876066"
                           z3="8.42086"
                           zFract="0.3789766"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.21378"
                           xFract="0.49926303"
                           y3="6.31769"
                           yFract="0.74854147"
                           z3="8.41253"
                           zFract="0.37860171"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.11534"
                           xFract="0.2506327"
                           y3="2.1193"
                           yFract="0.2511019"
                           z3="6.36584"
                           zFract="0.28649145"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.32664"
                           xFract="0.7496019"
                           y3="4.20402"
                           yFract="0.49810664"
                           z3="4.22906"
                           zFract="0.19032673"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.11689"
                           xFract="0.25081635"
                           y3="4.21327"
                           yFract="0.49920261"
                           z3="8.50816"
                           zFract="0.38290549"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.21279"
                           xFract="0.49914573"
                           y3="4.21639"
                           yFract="0.49957227"
                           z3="6.36375"
                           zFract="0.28639739"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.22027"
                           xFract="0.50003199"
                           y3="2.10819"
                           yFract="0.24978555"
                           z3="4.21975"
                           zFract="0.18990774"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3249"
                           xFract="0.74939573"
                           y3="4.22553"
                           yFract="0.50065521"
                           z3="8.49147"
                           zFract="0.38215437"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11169"
                           xFract="0.25020024"
                           y3="0.0129"
                           yFract="0.00152844"
                           z3="4.22323"
                           zFract="0.19006436"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00048"
                           xFract="-0.00005687"
                           y3="2.11125"
                           yFract="0.2501481"
                           z3="4.21704"
                           zFract="0.18978578"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.19944"
                           xFract="0.49756398"
                           y3="0.00755"
                           yFract="0.00089455"
                           z3="6.35016"
                           zFract="0.28578578"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.00236"
                           xFract="0.00027962"
                           y3="6.32705"
                           yFract="0.74965047"
                           z3="4.22773"
                           zFract="0.19026688"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11066"
                           xFract="0.2500782"
                           y3="4.20223"
                           yFract="0.49789455"
                           z3="4.23178"
                           zFract="0.19044914"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.11498"
                           xFract="0.25059005"
                           y3="6.3225"
                           yFract="0.74911137"
                           z3="6.37335"
                           zFract="0.28682943"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.02049"
                           xFract="0.00242773"
                           y3="0.00907"
                           yFract="0.00107464"
                           z3="6.35654"
                           zFract="0.28607291"/>
                     <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="-0.05427"
                           xFract="-0.00643009"
                           y3="2.17042"
                           yFract="0.25715877"
                           z3="6.3527"
                           zFract="0.28590009"/>
                     <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="2.09803"
                           xFract="0.24858175"
                           y3="-0.00002"
                           yFract="-0.00000237"
                           z3="6.35609"
                           zFract="0.28605266"/>
                     <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="-0.03536"
                           xFract="-0.00418957"
                           y3="-0.00944"
                           yFract="-0.00111848"
                           z3="4.17033"
                           zFract="0.18768362"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00346"
                           xFract="-0.00040995"
                           y3="0.00645"
                           yFract="0.00076422"
                           z3="8.48313"
                           zFract="0.38177903"/>
                     <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="2.10232"
                           xFract="0.24909005"
                           y3="2.10496"
                           yFract="0.24940284"
                           z3="4.2010"
                           zFract="0.18906391"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10938"
                           xFract="0.24992654"
                           y3="2.07136"
                           yFract="0.2454218"
                           z3="8.45121"
                           zFract="0.38034248"/>
                     <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="4.27231"
                           xFract="0.50619787"
                           y3="2.11833"
                           yFract="0.25098697"
                           z3="6.3519"
                           zFract="0.28586409"/>
                     <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="6.34304"
                           xFract="0.75154502"
                           y3="0.00688"
                           yFract="0.00081517"
                           z3="6.31976"
                           zFract="0.28441764"/>
                     <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="4.26185"
                           xFract="0.50495853"
                           y3="-0.04428"
                           yFract="-0.00524645"
                           z3="4.21336"
                           zFract="0.18962016"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22359"
                           xFract="0.50042536"
                           y3="0.00757"
                           yFract="0.00089692"
                           z3="8.48611"
                           zFract="0.38191314"/>
                     <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="6.33781"
                           xFract="0.75092536"
                           y3="2.07235"
                           yFract="0.2455391"
                           z3="4.23562"
                           zFract="0.19062196"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3310"
                           xFract="0.75011848"
                           y3="2.06534"
                           yFract="0.24470853"
                           z3="8.41544"
                           zFract="0.37873267"/>
                     <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="-0.04943"
                           xFract="-0.00585664"
                           y3="6.27942"
                           yFract="0.74400711"
                           z3="6.34866"
                           zFract="0.28571827"/>
                     <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="2.03904"
                           xFract="0.24159242"
                           y3="4.2230"
                           yFract="0.50035545"
                           z3="6.24583"
                           zFract="0.28109046"/>
                     <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="0.00085"
                           xFract="0.00010071"
                           y3="4.2264"
                           yFract="0.50075829"
                           z3="4.27445"
                           zFract="0.19236949"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00832"
                           xFract="-0.00098578"
                           y3="4.21498"
                           yFract="0.49940521"
                           z3="8.41424"
                           zFract="0.37867867"/>
                     <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="2.14304"
                           xFract="0.25391469"
                           y3="6.33328"
                           yFract="0.75038863"
                           z3="4.18412"
                           zFract="0.18830423"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10788"
                           xFract="0.24974882"
                           y3="6.37037"
                           yFract="0.75478318"
                           z3="8.48662"
                           zFract="0.38193609"/>
                     <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="4.27426"
                           xFract="0.50642891"
                           y3="6.32877"
                           yFract="0.74985427"
                           z3="6.30038"
                           zFract="0.28354545"/>
                     <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="6.40408"
                           xFract="0.75877725"
                           y3="4.19321"
                           yFract="0.49682583"
                           z3="6.25791"
                           zFract="0.28163411"/>
                     <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="4.21774"
                           xFract="0.49973223"
                           y3="4.25792"
                           yFract="0.50449289"
                           z3="4.23423"
                           zFract="0.19055941"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22815"
                           xFract="0.50096564"
                           y3="4.21414"
                           yFract="0.49930569"
                           z3="8.44995"
                           zFract="0.38028578"/>
                     <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="6.28827"
                           xFract="0.74505569"
                           y3="6.3883"
                           yFract="0.75690758"
                           z3="4.23763"
                           zFract="0.19071242"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33219"
                           xFract="0.75025948"
                           y3="6.37445"
                           yFract="0.75526659"
                           z3="8.44176"
                           zFract="0.37991719"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a42" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a52" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.32781"
                           xFract="0.74974052"
                           y3="-0.01173"
                           yFract="-0.00138981"
                           z3="8.40536"
                           zFract="0.37827903"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.00185"
                           xFract="-0.00021919"
                           y3="4.21649"
                           yFract="0.49958412"
                           z3="6.33856"
                           zFract="0.28526373"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.32988"
                           xFract="0.74998578"
                           y3="2.13216"
                           yFract="0.25262559"
                           z3="6.36201"
                           zFract="0.28631908"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.11169"
                           xFract="0.25020024"
                           y3="0.0045"
                           yFract="0.00053318"
                           z3="8.44284"
                           zFract="0.3799658"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21574"
                           xFract="0.49949526"
                           y3="6.33027"
                           yFract="0.75003199"
                           z3="4.22688"
                           zFract="0.19022862"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.00317"
                           xFract="0.00037559"
                           y3="2.11931"
                           yFract="0.25110308"
                           z3="8.40427"
                           zFract="0.37822997"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32625"
                           xFract="0.74955569"
                           y3="0.02771"
                           yFract="0.00328318"
                           z3="4.18652"
                           zFract="0.18841224"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32901"
                           xFract="0.7498827"
                           y3="6.29789"
                           yFract="0.7461955"
                           z3="6.34682"
                           zFract="0.28563546"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2171"
                           xFract="0.4996564"
                           y3="2.11867"
                           yFract="0.25102725"
                           z3="8.40418"
                           zFract="0.37822592"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00473"
                           xFract="0.00056043"
                           y3="6.32072"
                           yFract="0.74890047"
                           z3="8.4254"
                           zFract="0.37918092"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.21627"
                           xFract="0.49955806"
                           y3="6.32169"
                           yFract="0.7490154"
                           z3="8.40963"
                           zFract="0.3784712"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.11836"
                           xFract="0.25099052"
                           y3="2.13112"
                           yFract="0.25250237"
                           z3="6.36919"
                           zFract="0.28664221"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.32433"
                           xFract="0.7493282"
                           y3="4.20797"
                           yFract="0.49857464"
                           z3="4.22028"
                           zFract="0.18993159"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.11797"
                           xFract="0.25094431"
                           y3="4.2103"
                           yFract="0.49885071"
                           z3="8.53438"
                           zFract="0.38408551"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.20938"
                           xFract="0.49874171"
                           y3="4.21708"
                           yFract="0.49965403"
                           z3="6.36254"
                           zFract="0.28634293"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.22018"
                           xFract="0.50002133"
                           y3="2.10299"
                           yFract="0.24916943"
                           z3="4.2232"
                           zFract="0.19006301"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32436"
                           xFract="0.74933175"
                           y3="4.22646"
                           yFract="0.5007654"
                           z3="8.51046"
                           zFract="0.383009"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11745"
                           xFract="0.2508827"
                           y3="0.0141"
                           yFract="0.00167062"
                           z3="4.22327"
                           zFract="0.19006616"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00094"
                           xFract="-0.00011137"
                           y3="2.10883"
                           yFract="0.24986137"
                           z3="4.22093"
                           zFract="0.18996085"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.20938"
                           xFract="0.49874171"
                           y3="0.00697"
                           yFract="0.00082583"
                           z3="6.34999"
                           zFract="0.28577813"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.00622"
                           xFract="-0.00073697"
                           y3="6.32777"
                           yFract="0.74973578"
                           z3="4.23505"
                           zFract="0.19059631"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11526"
                           xFract="0.25062322"
                           y3="4.19979"
                           yFract="0.49760545"
                           z3="4.21577"
                           zFract="0.18972862"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.11873"
                           xFract="0.25103436"
                           y3="6.3113"
                           yFract="0.74778436"
                           z3="6.38067"
                           zFract="0.28715887"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.01067"
                           xFract="0.00126422"
                           y3="0.01319"
                           yFract="0.0015628"
                           z3="6.35965"
                           zFract="0.28621287"/>
                     <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="-0.07951"
                           xFract="-0.00942062"
                           y3="2.18103"
                           yFract="0.25841588"
                           z3="6.35517"
                           zFract="0.28601125"/>
                     <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="2.08698"
                           xFract="0.24727251"
                           y3="-0.00842"
                           yFract="-0.00099763"
                           z3="6.36012"
                           zFract="0.28623402"/>
                     <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="-0.03222"
                           xFract="-0.00381754"
                           y3="-0.01509"
                           yFract="-0.00178791"
                           z3="4.15764"
                           zFract="0.18711251"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00306"
                           xFract="-0.00036256"
                           y3="0.00705"
                           yFract="0.00083531"
                           z3="8.49041"
                           zFract="0.38210666"/>
                     <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="2.10165"
                           xFract="0.24901066"
                           y3="2.09126"
                           yFract="0.24777962"
                           z3="4.20463"
                           zFract="0.18922727"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11007"
                           xFract="0.25000829"
                           y3="2.06334"
                           yFract="0.24447156"
                           z3="8.45305"
                           zFract="0.38042529"/>
                     <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="4.29766"
                           xFract="0.50920142"
                           y3="2.12268"
                           yFract="0.25150237"
                           z3="6.35387"
                           zFract="0.28595275"/>
                     <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="6.35627"
                           xFract="0.75311256"
                           y3="0.01365"
                           yFract="0.0016173"
                           z3="6.32711"
                           zFract="0.28474842"/>
                     <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="4.25727"
                           xFract="0.50441588"
                           y3="-0.04293"
                           yFract="-0.00508649"
                           z3="4.21612"
                           zFract="0.18974437"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22324"
                           xFract="0.50038389"
                           y3="0.00621"
                           yFract="0.00073578"
                           z3="8.49583"
                           zFract="0.38235059"/>
                     <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="6.33931"
                           xFract="0.75110308"
                           y3="2.06793"
                           yFract="0.2450154"
                           z3="4.23794"
                           zFract="0.19072637"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3303"
                           xFract="0.75003555"
                           y3="2.05299"
                           yFract="0.24324526"
                           z3="8.40581"
                           zFract="0.37829928"/>
                     <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="-0.04372"
                           xFract="-0.00518009"
                           y3="6.27052"
                           yFract="0.74295261"
                           z3="6.35331"
                           zFract="0.28592754"/>
                     <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="2.00338"
                           xFract="0.2373673"
                           y3="4.23107"
                           yFract="0.50131161"
                           z3="6.25179"
                           zFract="0.28135869"/>
                     <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="-0.00579"
                           xFract="-0.00068602"
                           y3="4.23211"
                           yFract="0.50143483"
                           z3="4.29428"
                           zFract="0.19326193"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00987"
                           xFract="-0.00116943"
                           y3="4.21484"
                           yFract="0.49938863"
                           z3="8.40903"
                           zFract="0.37844419"/>
                     <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="2.1380"
                           xFract="0.25331754"
                           y3="6.3481"
                           yFract="0.75214455"
                           z3="4.18524"
                           zFract="0.18835464"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11025"
                           xFract="0.25002962"
                           y3="6.37657"
                           yFract="0.75551777"
                           z3="8.49554"
                           zFract="0.38233753"/>
                     <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="4.26715"
                           xFract="0.50558649"
                           y3="6.3249"
                           yFract="0.74939573"
                           z3="6.31654"
                           zFract="0.28427273"/>
                     <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="6.43349"
                           xFract="0.76226185"
                           y3="4.18791"
                           yFract="0.49619787"
                           z3="6.24784"
                           zFract="0.28118092"/>
                     <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="4.22135"
                           xFract="0.50015995"
                           y3="4.2590"
                           yFract="0.50462085"
                           z3="4.24732"
                           zFract="0.19114851"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22981"
                           xFract="0.50116232"
                           y3="4.21638"
                           yFract="0.49957109"
                           z3="8.45512"
                           zFract="0.38051845"/>
                     <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="6.29396"
                           xFract="0.74572986"
                           y3="6.39534"
                           yFract="0.75774171"
                           z3="4.23162"
                           zFract="0.19044194"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32994"
                           xFract="0.74999289"
                           y3="6.38255"
                           yFract="0.7562263"
                           z3="8.44584"
                           zFract="0.38010081"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a52" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.32645"
                           xFract="0.74957938"
                           y3="-0.01214"
                           yFract="-0.00143839"
                           z3="8.39474"
                           zFract="0.37780108"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.00491"
                           xFract="-0.00058175"
                           y3="4.21913"
                           yFract="0.49989692"
                           z3="6.33026"
                           zFract="0.28489019"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33366"
                           xFract="0.75043365"
                           y3="2.12937"
                           yFract="0.25229502"
                           z3="6.36393"
                           zFract="0.28640549"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.11282"
                           xFract="0.25033412"
                           y3="0.00776"
                           yFract="0.00091943"
                           z3="8.45864"
                           zFract="0.38067687"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.22447"
                           xFract="0.50052962"
                           y3="6.33418"
                           yFract="0.75049526"
                           z3="4.22819"
                           zFract="0.19028758"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.00237"
                           xFract="0.00028081"
                           y3="2.11828"
                           yFract="0.25098104"
                           z3="8.40357"
                           zFract="0.37819847"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32158"
                           xFract="0.74900237"
                           y3="0.02173"
                           yFract="0.00257464"
                           z3="4.19072"
                           zFract="0.18860126"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32729"
                           xFract="0.74967891"
                           y3="6.2973"
                           yFract="0.74612559"
                           z3="6.33683"
                           zFract="0.28518587"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.21822"
                           xFract="0.4997891"
                           y3="2.11521"
                           yFract="0.2506173"
                           z3="8.40521"
                           zFract="0.37827228"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00332"
                           xFract="0.00039336"
                           y3="6.32183"
                           yFract="0.74903199"
                           z3="8.42967"
                           zFract="0.37937309"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.21861"
                           xFract="0.49983531"
                           y3="6.32544"
                           yFract="0.74945972"
                           z3="8.40691"
                           zFract="0.37834878"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.12119"
                           xFract="0.25132583"
                           y3="2.14222"
                           yFract="0.25381754"
                           z3="6.37234"
                           zFract="0.28678398"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.32217"
                           xFract="0.74907227"
                           y3="4.21169"
                           yFract="0.4990154"
                           z3="4.21204"
                           zFract="0.18956076"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.11899"
                           xFract="0.25106517"
                           y3="4.20751"
                           yFract="0.49852014"
                           z3="8.55899"
                           zFract="0.38519307"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.20618"
                           xFract="0.49836256"
                           y3="4.21773"
                           yFract="0.49973104"
                           z3="6.36141"
                           zFract="0.28629208"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2201"
                           xFract="0.50001185"
                           y3="2.09811"
                           yFract="0.24859123"
                           z3="4.22643"
                           zFract="0.19020837"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32385"
                           xFract="0.74927133"
                           y3="4.22734"
                           yFract="0.50086967"
                           z3="8.52828"
                           zFract="0.38381098"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12286"
                           xFract="0.2515237"
                           y3="0.01524"
                           yFract="0.00180569"
                           z3="4.22331"
                           zFract="0.19006796"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00137"
                           xFract="-0.00016232"
                           y3="2.10657"
                           yFract="0.2495936"
                           z3="4.22458"
                           zFract="0.19012511"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.21871"
                           xFract="0.49984716"
                           y3="0.00642"
                           yFract="0.00076066"
                           z3="6.34984"
                           zFract="0.28577138"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.01428"
                           xFract="-0.00169194"
                           y3="6.32844"
                           yFract="0.74981517"
                           z3="4.24191"
                           zFract="0.19090504"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11958"
                           xFract="0.25113507"
                           y3="4.1975"
                           yFract="0.49733412"
                           z3="4.20075"
                           zFract="0.18905266"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.12224"
                           xFract="0.25145024"
                           y3="6.30079"
                           yFract="0.7465391"
                           z3="6.38754"
                           zFract="0.28746805"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.00145"
                           xFract="0.0001718"
                           y3="0.01706"
                           yFract="0.00202133"
                           z3="6.36256"
                           zFract="0.28634383"/>
                     <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="-0.10321"
                           xFract="-0.01222867"
                           y3="2.1910"
                           yFract="0.25959716"
                           z3="6.35748"
                           zFract="0.28611521"/>
                     <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="2.07661"
                           xFract="0.24604384"
                           y3="-0.01631"
                           yFract="-0.00193246"
                           z3="6.3639"
                           zFract="0.28640414"/>
                     <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="-0.02927"
                           xFract="-0.00346801"
                           y3="-0.02039"
                           yFract="-0.00241588"
                           z3="4.14572"
                           zFract="0.18657606"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00269"
                           xFract="-0.00031872"
                           y3="0.00762"
                           yFract="0.00090284"
                           z3="8.49725"
                           zFract="0.38241449"/>
                     <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="2.10101"
                           xFract="0.24893483"
                           y3="2.07839"
                           yFract="0.24625474"
                           z3="4.20803"
                           zFract="0.18938029"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11071"
                           xFract="0.25008412"
                           y3="2.0558"
                           yFract="0.2435782"
                           z3="8.45478"
                           zFract="0.38050315"/>
                     <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="4.32145"
                           xFract="0.51202014"
                           y3="2.12676"
                           yFract="0.25198578"
                           z3="6.35572"
                           zFract="0.286036"/>
                     <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="6.36869"
                           xFract="0.75458412"
                           y3="0.0200"
                           yFract="0.00236967"
                           z3="6.33402"
                           zFract="0.28505941"/>
                     <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="4.25298"
                           xFract="0.50390758"
                           y3="-0.04167"
                           yFract="-0.0049372"
                           z3="4.21871"
                           zFract="0.18986094"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22291"
                           xFract="0.50034479"
                           y3="0.00494"
                           yFract="0.00058531"
                           z3="8.50496"
                           zFract="0.38276148"/>
                     <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="6.34071"
                           xFract="0.75126896"
                           y3="2.06378"
                           yFract="0.2445237"
                           z3="4.24012"
                           zFract="0.19082448"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32964"
                           xFract="0.74995735"
                           y3="2.04139"
                           yFract="0.24187085"
                           z3="8.39676"
                           zFract="0.37789199"/>
                     <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="-0.03837"
                           xFract="-0.00454621"
                           y3="6.26216"
                           yFract="0.74196209"
                           z3="6.35766"
                           zFract="0.28612331"/>
                     <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="1.96991"
                           xFract="0.23340166"
                           y3="4.23865"
                           yFract="0.50220972"
                           z3="6.25738"
                           zFract="0.28161026"/>
                     <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="-0.01201"
                           xFract="-0.00142299"
                           y3="4.23747"
                           yFract="0.50206991"
                           z3="4.31289"
                           zFract="0.19409946"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01132"
                           xFract="-0.00134123"
                           y3="4.21471"
                           yFract="0.49937322"
                           z3="8.40414"
                           zFract="0.37822412"/>
                     <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="2.13327"
                           xFract="0.25275711"
                           y3="6.36201"
                           yFract="0.75379265"
                           z3="4.18629"
                           zFract="0.18840189"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11248"
                           xFract="0.25029384"
                           y3="6.38238"
                           yFract="0.75620616"
                           z3="8.50391"
                           zFract="0.38271422"/>
                     <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="4.26048"
                           xFract="0.50479621"
                           y3="6.32126"
                           yFract="0.74896445"
                           z3="6.33171"
                           zFract="0.28495545"/>
                     <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="6.46109"
                           xFract="0.76553199"
                           y3="4.18294"
                           yFract="0.495609"
                           z3="6.23839"
                           zFract="0.28075563"/>
                     <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="4.22473"
                           xFract="0.50056043"
                           y3="4.26002"
                           yFract="0.50474171"
                           z3="4.2596"
                           zFract="0.19170117"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23138"
                           xFract="0.50134834"
                           y3="4.21848"
                           yFract="0.49981991"
                           z3="8.45997"
                           zFract="0.38073672"/>
                     <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="6.2993"
                           xFract="0.74636256"
                           y3="6.40194"
                           yFract="0.7585237"
                           z3="4.22598"
                           zFract="0.19018812"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32784"
                           xFract="0.74974408"
                           y3="6.39016"
                           yFract="0.75712796"
                           z3="8.44966"
                           zFract="0.38027273"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.32575"
                           xFract="0.74949645"
                           y3="-0.01346"
                           yFract="-0.00159479"
                           z3="8.40383"
                           zFract="0.37821017"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.01241"
                           xFract="-0.00147038"
                           y3="4.22425"
                           yFract="0.50050355"
                           z3="6.3321"
                           zFract="0.284973"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33613"
                           xFract="0.7507263"
                           y3="2.13671"
                           yFract="0.25316469"
                           z3="6.35555"
                           zFract="0.28602835"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.11309"
                           xFract="0.25036611"
                           y3="0.00514"
                           yFract="0.000609"
                           z3="8.4698"
                           zFract="0.38117912"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.22136"
                           xFract="0.50016114"
                           y3="6.33611"
                           yFract="0.75072393"
                           z3="4.2285"
                           zFract="0.19030153"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.00262"
                           xFract="0.00031043"
                           y3="2.11611"
                           yFract="0.25072393"
                           z3="8.40987"
                           zFract="0.378482"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32336"
                           xFract="0.74921327"
                           y3="0.02311"
                           yFract="0.00273815"
                           z3="4.19153"
                           zFract="0.18863771"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.3312"
                           xFract="0.75014218"
                           y3="6.29075"
                           yFract="0.74534953"
                           z3="6.33629"
                           zFract="0.28516157"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.21957"
                           xFract="0.49994905"
                           y3="2.11188"
                           yFract="0.25022275"
                           z3="8.41293"
                           zFract="0.37861971"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00281"
                           xFract="0.00033294"
                           y3="6.3258"
                           yFract="0.74950237"
                           z3="8.43818"
                           zFract="0.37975608"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.21984"
                           xFract="0.49998104"
                           y3="6.33013"
                           yFract="0.7500154"
                           z3="8.42151"
                           zFract="0.37900585"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.12581"
                           xFract="0.25187322"
                           y3="2.14618"
                           yFract="0.25428673"
                           z3="6.36957"
                           zFract="0.28665932"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3233"
                           xFract="0.74920616"
                           y3="4.20867"
                           yFract="0.49865758"
                           z3="4.20263"
                           zFract="0.18913726"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.12068"
                           xFract="0.2512654"
                           y3="4.2086"
                           yFract="0.49864929"
                           z3="8.57813"
                           zFract="0.38605446"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.20466"
                           xFract="0.49818246"
                           y3="4.21284"
                           yFract="0.49915166"
                           z3="6.36527"
                           zFract="0.2864658"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.22249"
                           xFract="0.50029502"
                           y3="2.09523"
                           yFract="0.24825"
                           z3="4.22918"
                           zFract="0.19033213"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32296"
                           xFract="0.74916588"
                           y3="4.22919"
                           yFract="0.50108886"
                           z3="8.53712"
                           zFract="0.38420882"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12271"
                           xFract="0.25150592"
                           y3="0.00732"
                           yFract="0.0008673"
                           z3="4.23046"
                           zFract="0.19038974"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00261"
                           xFract="-0.00030924"
                           y3="2.10255"
                           yFract="0.2491173"
                           z3="4.22759"
                           zFract="0.19026058"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.21223"
                           xFract="0.49907938"
                           y3="0.00997"
                           yFract="0.00118128"
                           z3="6.35319"
                           zFract="0.28592214"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.01208"
                           xFract="-0.00143128"
                           y3="6.33135"
                           yFract="0.75015995"
                           z3="4.24459"
                           zFract="0.19102565"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1192"
                           xFract="0.25109005"
                           y3="4.20231"
                           yFract="0.49790403"
                           z3="4.20037"
                           zFract="0.18903555"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.12169"
                           xFract="0.25138507"
                           y3="6.30153"
                           yFract="0.74662678"
                           z3="6.39154"
                           zFract="0.28764806"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.01146"
                           xFract="0.00135782"
                           y3="0.01846"
                           yFract="0.0021872"
                           z3="6.36285"
                           zFract="0.28635689"/>
                     <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="-0.11906"
                           xFract="-0.01410664"
                           y3="2.18824"
                           yFract="0.25927014"
                           z3="6.35555"
                           zFract="0.28602835"/>
                     <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="2.06927"
                           xFract="0.24517417"
                           y3="-0.0168"
                           yFract="-0.00199052"
                           z3="6.37077"
                           zFract="0.28671332"/>
                     <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="-0.02342"
                           xFract="-0.00277488"
                           y3="-0.02349"
                           yFract="-0.00278318"
                           z3="4.14182"
                           zFract="0.18640054"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00212"
                           xFract="-0.00025118"
                           y3="0.00856"
                           yFract="0.00101422"
                           z3="8.49677"
                           zFract="0.38239289"/>
                     <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="2.10035"
                           xFract="0.24885664"
                           y3="2.07468"
                           yFract="0.24581517"
                           z3="4.22011"
                           zFract="0.18992394"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11231"
                           xFract="0.2502737"
                           y3="2.05864"
                           yFract="0.24391469"
                           z3="8.45353"
                           zFract="0.38044689"/>
                     <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="4.34428"
                           xFract="0.51472512"
                           y3="2.12929"
                           yFract="0.25228555"
                           z3="6.35728"
                           zFract="0.28610621"/>
                     <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="6.37343"
                           xFract="0.75514573"
                           y3="0.0103"
                           yFract="0.00122038"
                           z3="6.32934"
                           zFract="0.28484878"/>
                     <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="4.24944"
                           xFract="0.50348815"
                           y3="-0.03937"
                           yFract="-0.00466469"
                           z3="4.2346"
                           zFract="0.19057606"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22222"
                           xFract="0.50026303"
                           y3="0.00617"
                           yFract="0.00073104"
                           z3="8.50131"
                           zFract="0.38259721"/>
                     <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="6.34178"
                           xFract="0.75139573"
                           y3="2.05781"
                           yFract="0.24381635"
                           z3="4.24082"
                           zFract="0.19085599"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32953"
                           xFract="0.74994431"
                           y3="2.03967"
                           yFract="0.24166706"
                           z3="8.39437"
                           zFract="0.37778443"/>
                     <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="-0.03654"
                           xFract="-0.00432938"
                           y3="6.26496"
                           yFract="0.74229384"
                           z3="6.36096"
                           zFract="0.28627183"/>
                     <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="1.93937"
                           xFract="0.22978318"
                           y3="4.23327"
                           yFract="0.50157227"
                           z3="6.26082"
                           zFract="0.28176508"/>
                     <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="-0.01014"
                           xFract="-0.00120142"
                           y3="4.24029"
                           yFract="0.50240403"
                           z3="4.31646"
                           zFract="0.19426013"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01416"
                           xFract="-0.00167773"
                           y3="4.21446"
                           yFract="0.4993436"
                           z3="8.40499"
                           zFract="0.37826238"/>
                     <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="2.13173"
                           xFract="0.25257464"
                           y3="6.37167"
                           yFract="0.7549372"
                           z3="4.19215"
                           zFract="0.18866562"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1128"
                           xFract="0.25033175"
                           y3="6.38122"
                           yFract="0.75606872"
                           z3="8.51212"
                           zFract="0.38308371"/>
                     <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="4.2597"
                           xFract="0.50470379"
                           y3="6.31959"
                           yFract="0.74876659"
                           z3="6.33606"
                           zFract="0.28515122"/>
                     <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="6.47587"
                           xFract="0.76728318"
                           y3="4.19362"
                           yFract="0.49687441"
                           z3="6.24092"
                           zFract="0.28086949"/>
                     <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="4.22214"
                           xFract="0.50025355"
                           y3="4.26111"
                           yFract="0.50487085"
                           z3="4.2725"
                           zFract="0.19228173"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23247"
                           xFract="0.50147749"
                           y3="4.21615"
                           yFract="0.49954384"
                           z3="8.46067"
                           zFract="0.38076823"/>
                     <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="6.30059"
                           xFract="0.7465154"
                           y3="6.40518"
                           yFract="0.75890758"
                           z3="4.23022"
                           zFract="0.19037894"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32838"
                           xFract="0.74980806"
                           y3="6.38886"
                           yFract="0.75697393"
                           z3="8.44525"
                           zFract="0.38007426"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.32536"
                           xFract="0.74945024"
                           y3="-0.01417"
                           yFract="-0.00167891"
                           z3="8.40875"
                           zFract="0.37843159"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.01647"
                           xFract="-0.00195142"
                           y3="4.22702"
                           yFract="0.50083175"
                           z3="6.33309"
                           zFract="0.28501755"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33746"
                           xFract="0.75088389"
                           y3="2.14068"
                           yFract="0.25363507"
                           z3="6.35102"
                           zFract="0.28582448"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.11324"
                           xFract="0.25038389"
                           y3="0.00373"
                           yFract="0.00044194"
                           z3="8.47584"
                           zFract="0.38145095"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21967"
                           xFract="0.4999609"
                           y3="6.33716"
                           yFract="0.75084834"
                           z3="4.22867"
                           zFract="0.19030918"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.00276"
                           xFract="0.00032701"
                           y3="2.11493"
                           yFract="0.25058412"
                           z3="8.41328"
                           zFract="0.37863546"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32432"
                           xFract="0.74932701"
                           y3="0.02385"
                           yFract="0.00282583"
                           z3="4.19197"
                           zFract="0.18865752"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33331"
                           xFract="0.75039218"
                           y3="6.28721"
                           yFract="0.74493009"
                           z3="6.3360"
                           zFract="0.28514851"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2203"
                           xFract="0.50003555"
                           y3="2.11008"
                           yFract="0.25000948"
                           z3="8.41711"
                           zFract="0.37880783"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00254"
                           xFract="0.00030095"
                           y3="6.32795"
                           yFract="0.74975711"
                           z3="8.44278"
                           zFract="0.3799631"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2205"
                           xFract="0.50005924"
                           y3="6.33267"
                           yFract="0.75031635"
                           z3="8.4294"
                           zFract="0.37936094"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1283"
                           xFract="0.25216825"
                           y3="2.14833"
                           yFract="0.25454147"
                           z3="6.36808"
                           zFract="0.28659226"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.32391"
                           xFract="0.74927844"
                           y3="4.20704"
                           yFract="0.49846445"
                           z3="4.19754"
                           zFract="0.18890819"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.12159"
                           xFract="0.25137322"
                           y3="4.20919"
                           yFract="0.49871919"
                           z3="8.58848"
                           zFract="0.38652025"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.20383"
                           xFract="0.49808412"
                           y3="4.2102"
                           yFract="0.49883886"
                           z3="6.36737"
                           zFract="0.28656031"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.22379"
                           xFract="0.50044905"
                           y3="2.09367"
                           yFract="0.24806517"
                           z3="4.23066"
                           zFract="0.19039874"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32247"
                           xFract="0.74910782"
                           y3="4.23019"
                           yFract="0.50120735"
                           z3="8.5419"
                           zFract="0.38442394"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12264"
                           xFract="0.25149763"
                           y3="0.00304"
                           yFract="0.00036019"
                           z3="4.23433"
                           zFract="0.19056391"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00327"
                           xFract="-0.00038744"
                           y3="2.10038"
                           yFract="0.24886019"
                           z3="4.22922"
                           zFract="0.19033393"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.20872"
                           xFract="0.49866351"
                           y3="0.0119"
                           yFract="0.00140995"
                           z3="6.3550"
                           zFract="0.2860036"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.01089"
                           xFract="-0.00129028"
                           y3="6.33292"
                           yFract="0.75034597"
                           z3="4.24604"
                           zFract="0.19109091"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11899"
                           xFract="0.25106517"
                           y3="4.20492"
                           yFract="0.49821327"
                           z3="4.20017"
                           zFract="0.18902655"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1214"
                           xFract="0.25135071"
                           y3="6.30194"
                           yFract="0.74667536"
                           z3="6.3937"
                           zFract="0.28774527"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.01687"
                           xFract="0.00199882"
                           y3="0.01922"
                           yFract="0.00227725"
                           z3="6.3630"
                           zFract="0.28636364"/>
                     <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="-0.12764"
                           xFract="-0.01512322"
                           y3="2.18675"
                           yFract="0.2590936"
                           z3="6.35451"
                           zFract="0.28598155"/>
                     <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="2.06529"
                           xFract="0.24470261"
                           y3="-0.01706"
                           yFract="-0.00202133"
                           z3="6.37449"
                           zFract="0.28688074"/>
                     <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="-0.02025"
                           xFract="-0.00239929"
                           y3="-0.02517"
                           yFract="-0.00298223"
                           z3="4.13971"
                           zFract="0.18630558"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00181"
                           xFract="-0.00021445"
                           y3="0.00906"
                           yFract="0.00107346"
                           z3="8.49651"
                           zFract="0.38238119"/>
                     <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="2.09999"
                           xFract="0.24881398"
                           y3="2.07267"
                           yFract="0.24557701"
                           z3="4.22664"
                           zFract="0.19021782"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11318"
                           xFract="0.25037678"
                           y3="2.06017"
                           yFract="0.24409597"
                           z3="8.45285"
                           zFract="0.38041629"/>
                     <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="4.35663"
                           xFract="0.51618839"
                           y3="2.13066"
                           yFract="0.25244787"
                           z3="6.35813"
                           zFract="0.28614446"/>
                     <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="6.3760"
                           xFract="0.75545024"
                           y3="0.00506"
                           yFract="0.00059953"
                           z3="6.3268"
                           zFract="0.28473447"/>
                     <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="4.24753"
                           xFract="0.50326185"
                           y3="-0.03813"
                           yFract="-0.00451777"
                           z3="4.24319"
                           zFract="0.19096265"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22185"
                           xFract="0.50021919"
                           y3="0.00683"
                           yFract="0.00080924"
                           z3="8.49933"
                           zFract="0.3825081"/>
                     <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="6.34235"
                           xFract="0.75146327"
                           y3="2.05458"
                           yFract="0.24343365"
                           z3="4.2412"
                           zFract="0.19087309"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32948"
                           xFract="0.74993839"
                           y3="2.03875"
                           yFract="0.24155806"
                           z3="8.39308"
                           zFract="0.37772637"/>
                     <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="-0.03555"
                           xFract="-0.00421209"
                           y3="6.26648"
                           yFract="0.74247393"
                           z3="6.36274"
                           zFract="0.28635194"/>
                     <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="1.92286"
                           xFract="0.22782701"
                           y3="4.23037"
                           yFract="0.50122867"
                           z3="6.26267"
                           zFract="0.28184833"/>
                     <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="-0.00912"
                           xFract="-0.00108057"
                           y3="4.24181"
                           yFract="0.50258412"
                           z3="4.3184"
                           zFract="0.19434743"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01569"
                           xFract="-0.001859"
                           y3="4.21432"
                           yFract="0.49932701"
                           z3="8.40544"
                           zFract="0.37828263"/>
                     <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="2.1309"
                           xFract="0.2524763"
                           y3="6.3769"
                           yFract="0.75555687"
                           z3="4.19532"
                           zFract="0.18880828"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11297"
                           xFract="0.2503519"
                           y3="6.3806"
                           yFract="0.75599526"
                           z3="8.51656"
                           zFract="0.38328353"/>
                     <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="4.25928"
                           xFract="0.50465403"
                           y3="6.31869"
                           yFract="0.74865995"
                           z3="6.33841"
                           zFract="0.28525698"/>
                     <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="6.48386"
                           xFract="0.76822986"
                           y3="4.1994"
                           yFract="0.49755924"
                           z3="6.24228"
                           zFract="0.28093069"/>
                     <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="4.22074"
                           xFract="0.50008768"
                           y3="4.2617"
                           yFract="0.50494076"
                           z3="4.27947"
                           zFract="0.19259541"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23307"
                           xFract="0.50154858"
                           y3="4.21489"
                           yFract="0.49939455"
                           z3="8.46105"
                           zFract="0.38078533"/>
                     <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="6.30129"
                           xFract="0.74659834"
                           y3="6.40693"
                           yFract="0.75911493"
                           z3="4.23252"
                           zFract="0.19048245"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32867"
                           xFract="0.74984242"
                           y3="6.38815"
                           yFract="0.75688981"
                           z3="8.44286"
                           zFract="0.3799667"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a38" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.32523"
                           xFract="0.74943483"
                           y3="-0.01443"
                           yFract="-0.00170972"
                           z3="8.4105"
                           zFract="0.37851035"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.01791"
                           xFract="-0.00212204"
                           y3="4.2280"
                           yFract="0.50094787"
                           z3="6.33344"
                           zFract="0.2850333"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33793"
                           xFract="0.75093957"
                           y3="2.14209"
                           yFract="0.25380213"
                           z3="6.34941"
                           zFract="0.28575203"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.11329"
                           xFract="0.25038981"
                           y3="0.00323"
                           yFract="0.0003827"
                           z3="8.47799"
                           zFract="0.3815477"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21907"
                           xFract="0.49988981"
                           y3="6.33753"
                           yFract="0.75089218"
                           z3="4.22873"
                           zFract="0.19031188"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0028"
                           xFract="0.00033175"
                           y3="2.11451"
                           yFract="0.25053436"
                           z3="8.41449"
                           zFract="0.37868992"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32466"
                           xFract="0.7493673"
                           y3="0.02411"
                           yFract="0.00285664"
                           z3="4.19212"
                           zFract="0.18866427"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33406"
                           xFract="0.75048104"
                           y3="6.28595"
                           yFract="0.74478081"
                           z3="6.33589"
                           zFract="0.28514356"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22056"
                           xFract="0.50006635"
                           y3="2.10944"
                           yFract="0.24993365"
                           z3="8.41859"
                           zFract="0.37887444"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00244"
                           xFract="0.0002891"
                           y3="6.32872"
                           yFract="0.74984834"
                           z3="8.44442"
                           zFract="0.3800369"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22074"
                           xFract="0.50008768"
                           y3="6.33357"
                           yFract="0.75042299"
                           z3="8.43221"
                           zFract="0.3794874"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.12919"
                           xFract="0.2522737"
                           y3="2.14909"
                           yFract="0.25463152"
                           z3="6.36755"
                           zFract="0.28656841"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.32413"
                           xFract="0.7493045"
                           y3="4.20646"
                           yFract="0.49839573"
                           z3="4.19573"
                           zFract="0.18882673"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.12191"
                           xFract="0.25141114"
                           y3="4.2094"
                           yFract="0.49874408"
                           z3="8.59216"
                           zFract="0.38668587"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.20354"
                           xFract="0.49804976"
                           y3="4.20926"
                           yFract="0.49872749"
                           z3="6.36811"
                           zFract="0.28659361"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.22425"
                           xFract="0.50050355"
                           y3="2.09312"
                           yFract="0.2480"
                           z3="4.23119"
                           zFract="0.19042259"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3223"
                           xFract="0.74908768"
                           y3="4.23054"
                           yFract="0.50124882"
                           z3="8.5436"
                           zFract="0.38450045"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12261"
                           xFract="0.25149408"
                           y3="0.00152"
                           yFract="0.00018009"
                           z3="4.2357"
                           zFract="0.19062556"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00351"
                           xFract="-0.00041588"
                           y3="2.0996"
                           yFract="0.24876777"
                           z3="4.2298"
                           zFract="0.19036004"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.20748"
                           xFract="0.49851659"
                           y3="0.01258"
                           yFract="0.00149052"
                           z3="6.35564"
                           zFract="0.2860324"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.01047"
                           xFract="-0.00124052"
                           y3="6.33348"
                           yFract="0.75041232"
                           z3="4.24656"
                           zFract="0.19111431"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11892"
                           xFract="0.25105687"
                           y3="4.20584"
                           yFract="0.49832227"
                           z3="4.20009"
                           zFract="0.18902295"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.12129"
                           xFract="0.25133768"
                           y3="6.30208"
                           yFract="0.74669194"
                           z3="6.39447"
                           zFract="0.28777993"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0188"
                           xFract="0.00222749"
                           y3="0.01949"
                           yFract="0.00230924"
                           z3="6.36306"
                           zFract="0.28636634"/>
                     <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="-0.13069"
                           xFract="-0.0154846"
                           y3="2.18622"
                           yFract="0.25903081"
                           z3="6.35414"
                           zFract="0.2859649"/>
                     <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="2.06388"
                           xFract="0.24453555"
                           y3="-0.01715"
                           yFract="-0.00203199"
                           z3="6.37581"
                           zFract="0.28694014"/>
                     <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="-0.01913"
                           xFract="-0.00226659"
                           y3="-0.02577"
                           yFract="-0.00305332"
                           z3="4.13895"
                           zFract="0.18627138"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.0017"
                           xFract="-0.00020142"
                           y3="0.00924"
                           yFract="0.00109479"
                           z3="8.49642"
                           zFract="0.38237714"/>
                     <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="2.09987"
                           xFract="0.24879976"
                           y3="2.07195"
                           yFract="0.24549171"
                           z3="4.22896"
                           zFract="0.19032223"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11349"
                           xFract="0.25041351"
                           y3="2.06072"
                           yFract="0.24416114"
                           z3="8.45261"
                           zFract="0.38040549"/>
                     <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="4.36102"
                           xFract="0.51670853"
                           y3="2.13115"
                           yFract="0.25250592"
                           z3="6.35843"
                           zFract="0.28615797"/>
                     <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="6.37691"
                           xFract="0.75555806"
                           y3="0.00319"
                           yFract="0.00037796"
                           z3="6.3259"
                           zFract="0.28469397"/>
                     <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="4.24685"
                           xFract="0.50318128"
                           y3="-0.03769"
                           yFract="-0.00446564"
                           z3="4.24625"
                           zFract="0.19110036"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22171"
                           xFract="0.50020261"
                           y3="0.00707"
                           yFract="0.00083768"
                           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="6.34256"
                           xFract="0.75148815"
                           y3="2.05343"
                           yFract="0.24329739"
                           z3="4.24134"
                           zFract="0.19087939"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32946"
                           xFract="0.74993602"
                           y3="2.03841"
                           yFract="0.24151777"
                           z3="8.39262"
                           zFract="0.37770567"/>
                     <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="-0.03519"
                           xFract="-0.00416943"
                           y3="6.26701"
                           yFract="0.74253673"
                           z3="6.36338"
                           zFract="0.28638074"/>
                     <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="1.91698"
                           xFract="0.22713033"
                           y3="4.22934"
                           yFract="0.50110664"
                           z3="6.26333"
                           zFract="0.28187804"/>
                     <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="-0.00876"
                           xFract="-0.00103791"
                           y3="4.24235"
                           yFract="0.5026481"
                           z3="4.31908"
                           zFract="0.19437804"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01624"
                           xFract="-0.00192417"
                           y3="4.21427"
                           yFract="0.49932109"
                           z3="8.4056"
                           zFract="0.37828983"/>
                     <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="2.1306"
                           xFract="0.25244076"
                           y3="6.37876"
                           yFract="0.75577725"
                           z3="4.19645"
                           zFract="0.18885914"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11303"
                           xFract="0.250359"
                           y3="6.38037"
                           yFract="0.75596801"
                           z3="8.51814"
                           zFract="0.38335464"/>
                     <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="4.25913"
                           xFract="0.50463626"
                           y3="6.31837"
                           yFract="0.74862204"
                           z3="6.33925"
                           zFract="0.28529478"/>
                     <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="6.48671"
                           xFract="0.76856754"
                           y3="4.20145"
                           yFract="0.49780213"
                           z3="6.24277"
                           zFract="0.28095275"/>
                     <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="4.22025"
                           xFract="0.50002962"
                           y3="4.26191"
                           yFract="0.50496564"
                           z3="4.28195"
                           zFract="0.19270702"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23328"
                           xFract="0.50157346"
                           y3="4.21445"
                           yFract="0.49934242"
                           z3="8.46119"
                           zFract="0.38079163"/>
                     <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="6.30154"
                           xFract="0.74662796"
                           y3="6.40755"
                           yFract="0.75918839"
                           z3="4.23333"
                           zFract="0.1905189"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32877"
                           xFract="0.74985427"
                           y3="6.3879"
                           yFract="0.75686019"
                           z3="8.44201"
                           zFract="0.37992844"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.32911"
                           xFract="0.74989455"
                           y3="-0.01377"
                           yFract="-0.00163152"
                           z3="8.4095"
                           zFract="0.37846535"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.01974"
                           xFract="-0.00233886"
                           y3="4.22819"
                           yFract="0.50097038"
                           z3="6.33906"
                           zFract="0.28528623"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34115"
                           xFract="0.75132109"
                           y3="2.1384"
                           yFract="0.25336493"
                           z3="6.35419"
                           zFract="0.28596715"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.11074"
                           xFract="0.25008768"
                           y3="0.00124"
                           yFract="0.00014692"
                           z3="8.48373"
                           zFract="0.38180603"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21846"
                           xFract="0.49981754"
                           y3="6.33869"
                           yFract="0.75102962"
                           z3="4.23489"
                           zFract="0.19058911"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0034"
                           xFract="0.00040284"
                           y3="2.11435"
                           yFract="0.2505154"
                           z3="8.41333"
                           zFract="0.37863771"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32719"
                           xFract="0.74966706"
                           y3="0.01959"
                           yFract="0.00232109"
                           z3="4.19574"
                           zFract="0.18882718"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33205"
                           xFract="0.75024289"
                           y3="6.29011"
                           yFract="0.7452737"
                           z3="6.33951"
                           zFract="0.28530648"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22222"
                           xFract="0.50026303"
                           y3="2.11003"
                           yFract="0.25000355"
                           z3="8.42109"
                           zFract="0.37898695"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00227"
                           xFract="0.00026896"
                           y3="6.33083"
                           yFract="0.75009834"
                           z3="8.44731"
                           zFract="0.38016697"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22171"
                           xFract="0.50020261"
                           y3="6.33248"
                           yFract="0.75029384"
                           z3="8.43847"
                           zFract="0.37976913"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.13282"
                           xFract="0.25270379"
                           y3="2.14997"
                           yFract="0.25473578"
                           z3="6.36528"
                           zFract="0.28646625"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.32701"
                           xFract="0.74964573"
                           y3="4.20673"
                           yFract="0.49842773"
                           z3="4.19789"
                           zFract="0.18892394"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.12244"
                           xFract="0.25147393"
                           y3="4.21179"
                           yFract="0.49902725"
                           z3="8.59948"
                           zFract="0.3870153"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.20159"
                           xFract="0.49781872"
                           y3="4.2099"
                           yFract="0.49880332"
                           z3="6.37804"
                           zFract="0.2870405"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.22293"
                           xFract="0.50034716"
                           y3="2.09303"
                           yFract="0.24798934"
                           z3="4.23074"
                           zFract="0.19040234"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32179"
                           xFract="0.74902725"
                           y3="4.23058"
                           yFract="0.50125355"
                           z3="8.54419"
                           zFract="0.384527"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12106"
                           xFract="0.25131043"
                           y3="0.0026"
                           yFract="0.00030806"
                           z3="4.23933"
                           zFract="0.19078893"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00024"
                           xFract="0.00002844"
                           y3="2.09895"
                           yFract="0.24869076"
                           z3="4.23131"
                           zFract="0.19042799"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.20428"
                           xFract="0.49813744"
                           y3="0.01178"
                           yFract="0.00139573"
                           z3="6.36117"
                           zFract="0.28628128"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.0097"
                           xFract="-0.00114929"
                           y3="6.33302"
                           yFract="0.75035782"
                           z3="4.24574"
                           zFract="0.19107741"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11476"
                           xFract="0.25056398"
                           y3="4.20945"
                           yFract="0.49875"
                           z3="4.21206"
                           zFract="0.18956166"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.12342"
                           xFract="0.25159005"
                           y3="6.29988"
                           yFract="0.74643128"
                           z3="6.40159"
                           zFract="0.28810036"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.01815"
                           xFract="0.00215047"
                           y3="0.02086"
                           yFract="0.00247156"
                           z3="6.36486"
                           zFract="0.28644734"/>
                     <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="-0.13947"
                           xFract="-0.01652488"
                           y3="2.18393"
                           yFract="0.25875948"
                           z3="6.35399"
                           zFract="0.28595815"/>
                     <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="2.06786"
                           xFract="0.24500711"
                           y3="-0.00821"
                           yFract="-0.00097275"
                           z3="6.3887"
                           zFract="0.28752025"/>
                     <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="-0.0128"
                           xFract="-0.00151659"
                           y3="-0.02526"
                           yFract="-0.00299289"
                           z3="4.13632"
                           zFract="0.18615302"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00148"
                           xFract="-0.00017536"
                           y3="0.00976"
                           yFract="0.0011564"
                           z3="8.50108"
                           zFract="0.38258686"/>
                     <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="2.10039"
                           xFract="0.24886137"
                           y3="2.07199"
                           yFract="0.24549645"
                           z3="4.2391"
                           zFract="0.19077858"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11599"
                           xFract="0.25070972"
                           y3="2.06725"
                           yFract="0.24493483"
                           z3="8.4497"
                           zFract="0.38027453"/>
                     <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="4.37611"
                           xFract="0.51849645"
                           y3="2.13908"
                           yFract="0.2534455"
                           z3="6.36317"
                           zFract="0.28637129"/>
                     <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="6.3793"
                           xFract="0.75584123"
                           y3="-0.00239"
                           yFract="-0.00028318"
                           z3="6.32844"
                           zFract="0.28480828"/>
                     <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="4.24342"
                           xFract="0.50277488"
                           y3="-0.03609"
                           yFract="-0.00427607"
                           z3="4.26067"
                           zFract="0.19174932"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22115"
                           xFract="0.50013626"
                           y3="0.00863"
                           yFract="0.00102251"
                           z3="8.49586"
                           zFract="0.38235194"/>
                     <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="6.34407"
                           xFract="0.75166706"
                           y3="2.05325"
                           yFract="0.24327607"
                           z3="4.24115"
                           zFract="0.19087084"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33069"
                           xFract="0.75008175"
                           y3="2.04251"
                           yFract="0.24200355"
                           z3="8.39281"
                           zFract="0.37771422"/>
                     <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="-0.03006"
                           xFract="-0.00356161"
                           y3="6.27213"
                           yFract="0.74314336"
                           z3="6.36876"
                           zFract="0.28662286"/>
                     <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="1.90237"
                           xFract="0.22539929"
                           y3="4.22066"
                           yFract="0.5000782"
                           z3="6.26654"
                           zFract="0.2820225"/>
                     <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="-0.00519"
                           xFract="-0.00061493"
                           y3="4.24405"
                           yFract="0.50284953"
                           z3="4.31095"
                           zFract="0.19401215"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.02019"
                           xFract="-0.00239218"
                           y3="4.21542"
                           yFract="0.49945735"
                           z3="8.41616"
                           zFract="0.37876508"/>
                     <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="2.13362"
                           xFract="0.25279858"
                           y3="6.37613"
                           yFract="0.75546564"
                           z3="4.20026"
                           zFract="0.1890306"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1136"
                           xFract="0.25042654"
                           y3="6.37432"
                           yFract="0.75525118"
                           z3="8.52909"
                           zFract="0.38384743"/>
                     <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="4.25422"
                           xFract="0.5040545"
                           y3="6.31059"
                           yFract="0.74770024"
                           z3="6.34257"
                           zFract="0.28544419"/>
                     <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="6.48522"
                           xFract="0.768391"
                           y3="4.20821"
                           yFract="0.49860308"
                           z3="6.2417"
                           zFract="0.28090459"/>
                     <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="4.21252"
                           xFract="0.49911374"
                           y3="4.26186"
                           yFract="0.50495972"
                           z3="4.29033"
                           zFract="0.19308416"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23371"
                           xFract="0.50162441"
                           y3="4.21276"
                           yFract="0.49914218"
                           z3="8.46317"
                           zFract="0.38088074"/>
                     <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="6.29841"
                           xFract="0.74625711"
                           y3="6.40567"
                           yFract="0.75896564"
                           z3="4.23319"
                           zFract="0.1905126"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32966"
                           xFract="0.74995972"
                           y3="6.38404"
                           yFract="0.75640284"
                           z3="8.4475"
                           zFract="0.38017552"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.33304"
                           xFract="0.75036019"
                           y3="-0.0131"
                           yFract="-0.00155213"
                           z3="8.40848"
                           zFract="0.37841944"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.0216"
                           xFract="-0.00255924"
                           y3="4.22838"
                           yFract="0.50099289"
                           z3="6.34475"
                           zFract="0.2855423"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34442"
                           xFract="0.75170853"
                           y3="2.13467"
                           yFract="0.25292299"
                           z3="6.35902"
                           zFract="0.28618452"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10815"
                           xFract="0.24978081"
                           y3="-0.00077"
                           yFract="-0.00009123"
                           z3="8.48954"
                           zFract="0.38206751"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21784"
                           xFract="0.49974408"
                           y3="6.33986"
                           yFract="0.75116825"
                           z3="4.24112"
                           zFract="0.19086949"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0040"
                           xFract="0.00047393"
                           y3="2.11419"
                           yFract="0.25049645"
                           z3="8.41214"
                           zFract="0.37858416"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32975"
                           xFract="0.74997038"
                           y3="0.01501"
                           yFract="0.00177844"
                           z3="4.1994"
                           zFract="0.1889919"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33001"
                           xFract="0.75000118"
                           y3="6.29432"
                           yFract="0.74577251"
                           z3="6.34318"
                           zFract="0.28547165"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2239"
                           xFract="0.50046209"
                           y3="2.11062"
                           yFract="0.25007346"
                           z3="8.42362"
                           zFract="0.37910081"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0021"
                           xFract="0.00024882"
                           y3="6.33297"
                           yFract="0.7503519"
                           z3="8.45024"
                           zFract="0.38029883"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22269"
                           xFract="0.50031872"
                           y3="6.33138"
                           yFract="0.75016351"
                           z3="8.44481"
                           zFract="0.38005446"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.13649"
                           xFract="0.25313863"
                           y3="2.15085"
                           yFract="0.25484005"
                           z3="6.36299"
                           zFract="0.28636319"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.32992"
                           xFract="0.74999052"
                           y3="4.20701"
                           yFract="0.4984609"
                           z3="4.20007"
                           zFract="0.18902205"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.12298"
                           xFract="0.25153791"
                           y3="4.21421"
                           yFract="0.49931398"
                           z3="8.60689"
                           zFract="0.38734878"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.19961"
                           xFract="0.49758412"
                           y3="4.21056"
                           yFract="0.49888152"
                           z3="6.38811"
                           zFract="0.2874937"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.22161"
                           xFract="0.50019076"
                           y3="2.09295"
                           yFract="0.24797986"
                           z3="4.23029"
                           zFract="0.19038209"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32128"
                           xFract="0.74896682"
                           y3="4.23061"
                           yFract="0.50125711"
                           z3="8.54478"
                           zFract="0.38455356"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11949"
                           xFract="0.25112441"
                           y3="0.00371"
                           yFract="0.00043957"
                           z3="4.2430"
                           zFract="0.1909541"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00404"
                           xFract="0.00047867"
                           y3="2.0983"
                           yFract="0.24861374"
                           z3="4.23284"
                           zFract="0.19049685"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.20105"
                           xFract="0.49775474"
                           y3="0.01098"
                           yFract="0.00130095"
                           z3="6.36677"
                           zFract="0.2865333"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.00892"
                           xFract="-0.00105687"
                           y3="6.33255"
                           yFract="0.75030213"
                           z3="4.2449"
                           zFract="0.1910396"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11056"
                           xFract="0.25006635"
                           y3="4.21311"
                           yFract="0.49918365"
                           z3="4.22418"
                           zFract="0.19010711"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.12557"
                           xFract="0.25184479"
                           y3="6.29764"
                           yFract="0.74616588"
                           z3="6.4088"
                           zFract="0.28842484"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.01749"
                           xFract="0.00207227"
                           y3="0.02225"
                           yFract="0.00263626"
                           z3="6.36669"
                           zFract="0.2865297"/>
                     <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="-0.14837"
                           xFract="-0.01757938"
                           y3="2.18161"
                           yFract="0.2584846"
                           z3="6.35383"
                           zFract="0.28595095"/>
                     <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="2.07189"
                           xFract="0.2454846"
                           y3="0.00085"
                           yFract="0.00010071"
                           z3="6.40176"
                           zFract="0.28810801"/>
                     <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="-0.0064"
                           xFract="-0.00075829"
                           y3="-0.02473"
                           yFract="-0.00293009"
                           z3="4.13364"
                           zFract="0.1860324"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00126"
                           xFract="-0.00014929"
                           y3="0.01029"
                           yFract="0.00121919"
                           z3="8.50579"
                           zFract="0.38279883"/>
                     <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="2.10092"
                           xFract="0.24892417"
                           y3="2.07203"
                           yFract="0.24550118"
                           z3="4.24937"
                           zFract="0.19124077"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11853"
                           xFract="0.25101066"
                           y3="2.07386"
                           yFract="0.24571801"
                           z3="8.44675"
                           zFract="0.38014176"/>
                     <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="4.3914"
                           xFract="0.52030806"
                           y3="2.14711"
                           yFract="0.25439692"
                           z3="6.36796"
                           zFract="0.28658686"/>
                     <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="6.38172"
                           xFract="0.75612796"
                           y3="-0.00804"
                           yFract="-0.00095261"
                           z3="6.3310"
                           zFract="0.28492349"/>
                     <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="4.23995"
                           xFract="0.50236374"
                           y3="-0.03446"
                           yFract="-0.00408294"
                           z3="4.27528"
                           zFract="0.19240684"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22058"
                           xFract="0.50006872"
                           y3="0.01022"
                           yFract="0.0012109"
                           z3="8.49306"
                           zFract="0.38222592"/>
                     <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="6.34561"
                           xFract="0.75184953"
                           y3="2.05305"
                           yFract="0.24325237"
                           z3="4.24096"
                           zFract="0.19086229"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33194"
                           xFract="0.75022986"
                           y3="2.04666"
                           yFract="0.24249526"
                           z3="8.3930"
                           zFract="0.37772277"/>
                     <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="-0.02486"
                           xFract="-0.0029455"
                           y3="6.27731"
                           yFract="0.74375711"
                           z3="6.37421"
                           zFract="0.28686814"/>
                     <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="1.88757"
                           xFract="0.22364573"
                           y3="4.21188"
                           yFract="0.49903791"
                           z3="6.26979"
                           zFract="0.28216877"/>
                     <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="-0.00157"
                           xFract="-0.00018602"
                           y3="4.24576"
                           yFract="0.50305213"
                           z3="4.30271"
                           zFract="0.19364131"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.02419"
                           xFract="-0.00286611"
                           y3="4.21658"
                           yFract="0.49959479"
                           z3="8.42685"
                           zFract="0.37924617"/>
                     <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="2.13667"
                           xFract="0.25315995"
                           y3="6.37346"
                           yFract="0.75514929"
                           z3="4.20412"
                           zFract="0.18920432"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11418"
                           xFract="0.25049526"
                           y3="6.36819"
                           yFract="0.75452488"
                           z3="8.54018"
                           zFract="0.38434653"/>
                     <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="4.24924"
                           xFract="0.50346445"
                           y3="6.30271"
                           yFract="0.74676659"
                           z3="6.34593"
                           zFract="0.28559541"/>
                     <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="6.48371"
                           xFract="0.76821209"
                           y3="4.21505"
                           yFract="0.49941351"
                           z3="6.24063"
                           zFract="0.28085644"/>
                     <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="4.2047"
                           xFract="0.4981872"
                           y3="4.26182"
                           yFract="0.50495498"
                           z3="4.29881"
                           zFract="0.1934658"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23415"
                           xFract="0.50167654"
                           y3="4.21105"
                           yFract="0.49893957"
                           z3="8.46518"
                           zFract="0.3809712"/>
                     <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="6.29525"
                           xFract="0.7458827"
                           y3="6.40376"
                           yFract="0.75873934"
                           z3="4.23304"
                           zFract="0.19050585"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33055"
                           xFract="0.75006517"
                           y3="6.38014"
                           yFract="0.75594076"
                           z3="8.45306"
                           zFract="0.38042574"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.33695"
                           xFract="0.75082346"
                           y3="-0.01449"
                           yFract="-0.00171682"
                           z3="8.41013"
                           zFract="0.3784937"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.04077"
                           xFract="-0.00483057"
                           y3="4.22971"
                           yFract="0.50115047"
                           z3="6.34273"
                           zFract="0.2854514"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34124"
                           xFract="0.75133175"
                           y3="2.13782"
                           yFract="0.25329621"
                           z3="6.3629"
                           zFract="0.28635914"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1064"
                           xFract="0.24957346"
                           y3="0.00125"
                           yFract="0.0001481"
                           z3="8.49624"
                           zFract="0.38236904"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21589"
                           xFract="0.49951303"
                           y3="6.3364"
                           yFract="0.75075829"
                           z3="4.24379"
                           zFract="0.19098965"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.00948"
                           xFract="0.00112322"
                           y3="2.1200"
                           yFract="0.25118483"
                           z3="8.4110"
                           zFract="0.37853285"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32924"
                           xFract="0.74990995"
                           y3="0.01619"
                           yFract="0.00191825"
                           z3="4.20028"
                           zFract="0.1890315"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33103"
                           xFract="0.75012204"
                           y3="6.29772"
                           yFract="0.74617536"
                           z3="6.3501"
                           zFract="0.28578308"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2236"
                           xFract="0.50042654"
                           y3="2.11203"
                           yFract="0.25024052"
                           z3="8.42397"
                           zFract="0.37911656"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00164"
                           xFract="0.00019431"
                           y3="6.32959"
                           yFract="0.74995142"
                           z3="8.45593"
                           zFract="0.38055491"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22455"
                           xFract="0.5005391"
                           y3="6.32895"
                           yFract="0.74987559"
                           z3="8.44964"
                           zFract="0.38027183"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.14026"
                           xFract="0.25358531"
                           y3="2.14972"
                           yFract="0.25470616"
                           z3="6.3665"
                           zFract="0.28652115"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.32653"
                           xFract="0.74958886"
                           y3="4.20688"
                           yFract="0.4984455"
                           z3="4.20861"
                           zFract="0.18940639"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.12009"
                           xFract="0.2511955"
                           y3="4.21493"
                           yFract="0.49939929"
                           z3="8.61176"
                           zFract="0.38756796"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2003"
                           xFract="0.49766588"
                           y3="4.2096"
                           yFract="0.49876777"
                           z3="6.39445"
                           zFract="0.28777903"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2225"
                           xFract="0.50029621"
                           y3="2.09673"
                           yFract="0.24842773"
                           z3="4.23306"
                           zFract="0.19050675"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32354"
                           xFract="0.7492346"
                           y3="4.23031"
                           yFract="0.50122156"
                           z3="8.54393"
                           zFract="0.3845153"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12119"
                           xFract="0.25132583"
                           y3="0.0036"
                           yFract="0.00042654"
                           z3="4.24678"
                           zFract="0.19112421"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00662"
                           xFract="0.00078436"
                           y3="2.10269"
                           yFract="0.24913389"
                           z3="4.23502"
                           zFract="0.19059496"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.20074"
                           xFract="0.49771801"
                           y3="0.01423"
                           yFract="0.00168602"
                           z3="6.37495"
                           zFract="0.28690144"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.00746"
                           xFract="-0.00088389"
                           y3="6.32965"
                           yFract="0.74995853"
                           z3="4.24774"
                           zFract="0.19116742"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11083"
                           xFract="0.25009834"
                           y3="4.21594"
                           yFract="0.49951896"
                           z3="4.22629"
                           zFract="0.19020207"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.12303"
                           xFract="0.25154384"
                           y3="6.29519"
                           yFract="0.74587559"
                           z3="6.41881"
                           zFract="0.28887534"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.02163"
                           xFract="0.0025628"
                           y3="0.02114"
                           yFract="0.00250474"
                           z3="6.37016"
                           zFract="0.28668587"/>
                     <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="-0.15514"
                           xFract="-0.01838152"
                           y3="2.17367"
                           yFract="0.25754384"
                           z3="6.35717"
                           zFract="0.28610126"/>
                     <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="2.07443"
                           xFract="0.24578555"
                           y3="0.0125"
                           yFract="0.00148104"
                           z3="6.41847"
                           zFract="0.28886004"/>
                     <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="-0.0038"
                           xFract="-0.00045024"
                           y3="-0.02734"
                           yFract="-0.00323934"
                           z3="4.13532"
                           zFract="0.18610801"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00123"
                           xFract="-0.00014573"
                           y3="0.01251"
                           yFract="0.00148223"
                           z3="8.51629"
                           zFract="0.38327138"/>
                     <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="2.10269"
                           xFract="0.24913389"
                           y3="2.0733"
                           yFract="0.24565166"
                           z3="4.25365"
                           zFract="0.19143339"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11919"
                           xFract="0.25108886"
                           y3="2.08259"
                           yFract="0.24675237"
                           z3="8.44358"
                           zFract="0.3799991"/>
                     <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="4.40339"
                           xFract="0.52172867"
                           y3="2.15756"
                           yFract="0.25563507"
                           z3="6.37309"
                           zFract="0.28681773"/>
                     <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="6.3794"
                           xFract="0.75585308"
                           y3="-0.01081"
                           yFract="-0.00128081"
                           z3="6.33487"
                           zFract="0.28509766"/>
                     <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="4.23895"
                           xFract="0.50224526"
                           y3="-0.03297"
                           yFract="-0.0039064"
                           z3="4.28855"
                           zFract="0.19300405"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22324"
                           xFract="0.50038389"
                           y3="0.00812"
                           yFract="0.00096209"
                           z3="8.49312"
                           zFract="0.38222862"/>
                     <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="6.34774"
                           xFract="0.7521019"
                           y3="2.05347"
                           yFract="0.24330213"
                           z3="4.24576"
                           zFract="0.19107831"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33618"
                           xFract="0.75073223"
                           y3="2.05189"
                           yFract="0.24311493"
                           z3="8.39382"
                           zFract="0.37775968"/>
                     <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="-0.01778"
                           xFract="-0.00210664"
                           y3="6.28724"
                           yFract="0.74493365"
                           z3="6.37625"
                           zFract="0.28695995"/>
                     <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="1.89106"
                           xFract="0.22405924"
                           y3="4.20155"
                           yFract="0.49781398"
                           z3="6.28553"
                           zFract="0.28287714"/>
                     <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="0.00042"
                           xFract="0.00004976"
                           y3="4.24775"
                           yFract="0.50328791"
                           z3="4.2931"
                           zFract="0.19320882"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.02821"
                           xFract="-0.00334242"
                           y3="4.21672"
                           yFract="0.49961137"
                           z3="8.44391"
                           zFract="0.38001395"/>
                     <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="2.13785"
                           xFract="0.25329976"
                           y3="6.37154"
                           yFract="0.7549218"
                           z3="4.2098"
                           zFract="0.18945995"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1159"
                           xFract="0.25069905"
                           y3="6.3595"
                           yFract="0.75349526"
                           z3="8.55089"
                           zFract="0.38482853"/>
                     <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="4.24371"
                           xFract="0.50280924"
                           y3="6.29428"
                           yFract="0.74576777"
                           z3="6.35855"
                           zFract="0.28616337"/>
                     <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="6.48409"
                           xFract="0.76825711"
                           y3="4.21324"
                           yFract="0.49919905"
                           z3="6.23776"
                           zFract="0.28072727"/>
                     <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="4.19771"
                           xFract="0.497359"
                           y3="4.2575"
                           yFract="0.50444313"
                           z3="4.30522"
                           zFract="0.19375428"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23543"
                           xFract="0.5018282"
                           y3="4.21357"
                           yFract="0.49923815"
                           z3="8.4739"
                           zFract="0.38136364"/>
                     <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="6.29354"
                           xFract="0.74568009"
                           y3="6.40133"
                           yFract="0.75845142"
                           z3="4.23615"
                           zFract="0.19064581"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32766"
                           xFract="0.74972275"
                           y3="6.37884"
                           yFract="0.75578673"
                           z3="8.46086"
                           zFract="0.38077678"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.3369"
                           xFract="0.75081754"
                           y3="-0.01447"
                           yFract="-0.00171445"
                           z3="8.41011"
                           zFract="0.3784928"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.04048"
                           xFract="-0.00479621"
                           y3="4.22969"
                           yFract="0.5011481"
                           z3="6.34276"
                           zFract="0.28545275"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34129"
                           xFract="0.75133768"
                           y3="2.13777"
                           yFract="0.25329028"
                           z3="6.36284"
                           zFract="0.28635644"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10642"
                           xFract="0.24957583"
                           y3="0.00122"
                           yFract="0.00014455"
                           z3="8.49614"
                           zFract="0.38236454"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21592"
                           xFract="0.49951659"
                           y3="6.33645"
                           yFract="0.75076422"
                           z3="4.24375"
                           zFract="0.19098785"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0094"
                           xFract="0.00111374"
                           y3="2.11991"
                           yFract="0.25117417"
                           z3="8.41102"
                           zFract="0.37853375"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32925"
                           xFract="0.74991114"
                           y3="0.01617"
                           yFract="0.00191588"
                           z3="4.20026"
                           zFract="0.1890306"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33102"
                           xFract="0.75012085"
                           y3="6.29767"
                           yFract="0.74616943"
                           z3="6.3500"
                           zFract="0.28577858"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22361"
                           xFract="0.50042773"
                           y3="2.11201"
                           yFract="0.25023815"
                           z3="8.42396"
                           zFract="0.37911611"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00165"
                           xFract="0.0001955"
                           y3="6.32964"
                           yFract="0.74995735"
                           z3="8.45585"
                           zFract="0.38055131"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22452"
                           xFract="0.50053555"
                           y3="6.32899"
                           yFract="0.74988033"
                           z3="8.44956"
                           zFract="0.38026823"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.14021"
                           xFract="0.25357938"
                           y3="2.14974"
                           yFract="0.25470853"
                           z3="6.36644"
                           zFract="0.28651845"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.32658"
                           xFract="0.74959479"
                           y3="4.20688"
                           yFract="0.4984455"
                           z3="4.20848"
                           zFract="0.18940054"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.12013"
                           xFract="0.25120024"
                           y3="4.21492"
                           yFract="0.4993981"
                           z3="8.61169"
                           zFract="0.38756481"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.20029"
                           xFract="0.49766469"
                           y3="4.20962"
                           yFract="0.49877014"
                           z3="6.39435"
                           zFract="0.28777453"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.22249"
                           xFract="0.50029502"
                           y3="2.09667"
                           yFract="0.24842062"
                           z3="4.23302"
                           zFract="0.19050495"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3235"
                           xFract="0.74922986"
                           y3="4.23031"
                           yFract="0.50122156"
                           z3="8.54394"
                           zFract="0.38451575"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12116"
                           xFract="0.25132227"
                           y3="0.0036"
                           yFract="0.00042654"
                           z3="4.24673"
                           zFract="0.19112196"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00659"
                           xFract="0.00078081"
                           y3="2.10263"
                           yFract="0.24912678"
                           z3="4.23498"
                           zFract="0.19059316"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.20075"
                           xFract="0.49771919"
                           y3="0.01418"
                           yFract="0.00168009"
                           z3="6.37483"
                           zFract="0.28689604"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.00748"
                           xFract="-0.00088626"
                           y3="6.32969"
                           yFract="0.74996327"
                           z3="4.2477"
                           zFract="0.19116562"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11083"
                           xFract="0.25009834"
                           y3="4.2159"
                           yFract="0.49951422"
                           z3="4.22626"
                           zFract="0.19020072"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.12307"
                           xFract="0.25154858"
                           y3="6.29523"
                           yFract="0.74588033"
                           z3="6.41866"
                           zFract="0.28886859"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.02157"
                           xFract="0.00255569"
                           y3="0.02115"
                           yFract="0.00250592"
                           z3="6.37011"
                           zFract="0.28668362"/>
                     <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="-0.15504"
                           xFract="-0.01836967"
                           y3="2.17379"
                           yFract="0.25755806"
                           z3="6.35712"
                           zFract="0.28609901"/>
                     <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="2.0744"
                           xFract="0.24578199"
                           y3="0.01233"
                           yFract="0.0014609"
                           z3="6.41822"
                           zFract="0.28884878"/>
                     <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="-0.00384"
                           xFract="-0.00045498"
                           y3="-0.0273"
                           yFract="-0.0032346"
                           z3="4.13529"
                           zFract="0.18610666"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00123"
                           xFract="-0.00014573"
                           y3="0.01248"
                           yFract="0.00147867"
                           z3="8.51613"
                           zFract="0.38326418"/>
                     <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="2.10266"
                           xFract="0.24913033"
                           y3="2.07329"
                           yFract="0.24565047"
                           z3="4.25359"
                           zFract="0.19143069"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11918"
                           xFract="0.25108768"
                           y3="2.08246"
                           yFract="0.24673697"
                           z3="8.44363"
                           zFract="0.38000135"/>
                     <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="4.40321"
                           xFract="0.52170735"
                           y3="2.15741"
                           yFract="0.2556173"
                           z3="6.37302"
                           zFract="0.28681458"/>
                     <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="6.37943"
                           xFract="0.75585664"
                           y3="-0.01077"
                           yFract="-0.00127607"
                           z3="6.33481"
                           zFract="0.28509496"/>
                     <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="4.23897"
                           xFract="0.50224763"
                           y3="-0.03299"
                           yFract="-0.00390877"
                           z3="4.28835"
                           zFract="0.19299505"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2232"
                           xFract="0.50037915"
                           y3="0.00816"
                           yFract="0.00096682"
                           z3="8.49312"
                           zFract="0.38222862"/>
                     <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="6.3477"
                           xFract="0.75209716"
                           y3="2.05346"
                           yFract="0.24330095"
                           z3="4.24569"
                           zFract="0.19107516"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33612"
                           xFract="0.75072512"
                           y3="2.05182"
                           yFract="0.24310664"
                           z3="8.3938"
                           zFract="0.37775878"/>
                     <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="-0.01788"
                           xFract="-0.00211848"
                           y3="6.2871"
                           yFract="0.74491706"
                           z3="6.37622"
                           zFract="0.2869586"/>
                     <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="1.89101"
                           xFract="0.22405332"
                           y3="4.20171"
                           yFract="0.49783294"
                           z3="6.2853"
                           zFract="0.28286679"/>
                     <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="0.00039"
                           xFract="0.00004621"
                           y3="4.24772"
                           yFract="0.50328436"
                           z3="4.29324"
                           zFract="0.19321512"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.02815"
                           xFract="-0.00333531"
                           y3="4.21672"
                           yFract="0.49961137"
                           z3="8.44366"
                           zFract="0.3800027"/>
                     <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="2.13783"
                           xFract="0.25329739"
                           y3="6.37157"
                           yFract="0.75492536"
                           z3="4.20972"
                           zFract="0.18945635"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11587"
                           xFract="0.2506955"
                           y3="6.35962"
                           yFract="0.75350948"
                           z3="8.55073"
                           zFract="0.38482133"/>
                     <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="4.24379"
                           xFract="0.50281872"
                           y3="6.2944"
                           yFract="0.74578199"
                           z3="6.35836"
                           zFract="0.28615482"/>
                     <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="6.48408"
                           xFract="0.76825592"
                           y3="4.21327"
                           yFract="0.49920261"
                           z3="6.2378"
                           zFract="0.28072907"/>
                     <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="4.19781"
                           xFract="0.49737085"
                           y3="4.25757"
                           yFract="0.50445142"
                           z3="4.30513"
                           zFract="0.19375023"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23541"
                           xFract="0.50182583"
                           y3="4.21353"
                           yFract="0.49923341"
                           z3="8.47377"
                           zFract="0.38135779"/>
                     <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="6.29357"
                           xFract="0.74568365"
                           y3="6.40136"
                           yFract="0.75845498"
                           z3="4.23611"
                           zFract="0.19064401"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3277"
                           xFract="0.74972749"
                           y3="6.37886"
                           yFract="0.7557891"
                           z3="8.46075"
                           zFract="0.38077183"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.34114"
                           xFract="0.75131991"
                           y3="-0.01353"
                           yFract="-0.00160308"
                           z3="8.4157"
                           zFract="0.37874437"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.02691"
                           xFract="-0.00318839"
                           y3="4.2282"
                           yFract="0.50097156"
                           z3="6.34137"
                           zFract="0.28539019"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34453"
                           xFract="0.75172156"
                           y3="2.13936"
                           yFract="0.25347867"
                           z3="6.36675"
                           zFract="0.2865324"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10578"
                           xFract="0.2495"
                           y3="0.00265"
                           yFract="0.00031398"
                           z3="8.50535"
                           zFract="0.38277903"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21405"
                           xFract="0.49929502"
                           y3="6.33216"
                           yFract="0.75025592"
                           z3="4.24649"
                           zFract="0.19111116"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.01527"
                           xFract="0.00180924"
                           y3="2.12775"
                           yFract="0.25210308"
                           z3="8.41254"
                           zFract="0.37860216"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32752"
                           xFract="0.74970616"
                           y3="0.01928"
                           yFract="0.00228436"
                           z3="4.20128"
                           zFract="0.18907651"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33236"
                           xFract="0.75027962"
                           y3="6.30128"
                           yFract="0.74659716"
                           z3="6.35688"
                           zFract="0.28608821"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22397"
                           xFract="0.50047038"
                           y3="2.11467"
                           yFract="0.25055332"
                           z3="8.4271"
                           zFract="0.37925743"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00177"
                           xFract="0.00020972"
                           y3="6.32389"
                           yFract="0.74927607"
                           z3="8.46508"
                           zFract="0.3809667"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22492"
                           xFract="0.50058294"
                           y3="6.32634"
                           yFract="0.74956635"
                           z3="8.45645"
                           zFract="0.38057831"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.13926"
                           xFract="0.25346682"
                           y3="2.14992"
                           yFract="0.25472986"
                           z3="6.37114"
                           zFract="0.28672997"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.31811"
                           xFract="0.74859123"
                           y3="4.20642"
                           yFract="0.498391"
                           z3="4.21226"
                           zFract="0.18957066"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.1160"
                           xFract="0.2507109"
                           y3="4.21541"
                           yFract="0.49945616"
                           z3="8.61501"
                           zFract="0.38771422"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.20042"
                           xFract="0.49768009"
                           y3="4.21049"
                           yFract="0.49887322"
                           z3="6.39974"
                           zFract="0.2880171"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.22446"
                           xFract="0.50052844"
                           y3="2.1002"
                           yFract="0.24883886"
                           z3="4.23708"
                           zFract="0.19068767"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3260"
                           xFract="0.74952607"
                           y3="4.2296"
                           yFract="0.50113744"
                           z3="8.54783"
                           zFract="0.38469082"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12466"
                           xFract="0.25173697"
                           y3="0.00221"
                           yFract="0.00026185"
                           z3="4.25078"
                           zFract="0.19130423"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00818"
                           xFract="0.00096919"
                           y3="2.10746"
                           yFract="0.24969905"
                           z3="4.23893"
                           zFract="0.19077093"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.20398"
                           xFract="0.4981019"
                           y3="0.01711"
                           yFract="0.00202725"
                           z3="6.38248"
                           zFract="0.28724032"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.00643"
                           xFract="-0.00076185"
                           y3="6.32828"
                           yFract="0.74979621"
                           z3="4.25171"
                           zFract="0.19134608"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11133"
                           xFract="0.25015758"
                           y3="4.21671"
                           yFract="0.49961019"
                           z3="4.22751"
                           zFract="0.19025698"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.11836"
                           xFract="0.25099052"
                           y3="6.29118"
                           yFract="0.74540047"
                           z3="6.42968"
                           zFract="0.28936454"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.02481"
                           xFract="0.00293957"
                           y3="0.02018"
                           yFract="0.002391"
                           z3="6.37515"
                           zFract="0.28691044"/>
                     <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="-0.16436"
                           xFract="-0.01947393"
                           y3="2.16192"
                           yFract="0.25615166"
                           z3="6.35976"
                           zFract="0.28621782"/>
                     <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="2.07818"
                           xFract="0.24622986"
                           y3="0.02485"
                           yFract="0.00294431"
                           z3="6.4327"
                           zFract="0.28950045"/>
                     <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="-0.00425"
                           xFract="-0.00050355"
                           y3="-0.03098"
                           yFract="-0.00367062"
                           z3="4.13934"
                           zFract="0.18628893"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00085"
                           xFract="-0.00010071"
                           y3="0.01467"
                           yFract="0.00173815"
                           z3="8.52965"
                           zFract="0.38387264"/>
                     <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="2.10444"
                           xFract="0.24934123"
                           y3="2.0746"
                           yFract="0.24580569"
                           z3="4.25279"
                           zFract="0.19139469"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12052"
                           xFract="0.25124645"
                           y3="2.09077"
                           yFract="0.24772156"
                           z3="8.44469"
                           zFract="0.38004905"/>
                     <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="4.4060"
                           xFract="0.52203791"
                           y3="2.16656"
                           yFract="0.25670142"
                           z3="6.37732"
                           zFract="0.2870081"/>
                     <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="6.37385"
                           xFract="0.7551955"
                           y3="-0.0102"
                           yFract="-0.00120853"
                           z3="6.33943"
                           zFract="0.28530288"/>
                     <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="4.23865"
                           xFract="0.50220972"
                           y3="-0.03201"
                           yFract="-0.00379265"
                           z3="4.29857"
                           zFract="0.193455"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22689"
                           xFract="0.50081635"
                           y3="0.00771"
                           yFract="0.00091351"
                           z3="8.49635"
                           zFract="0.38237399"/>
                     <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="6.34941"
                           xFract="0.75229976"
                           y3="2.05583"
                           yFract="0.24358175"
                           z3="4.25359"
                           zFract="0.19143069"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33835"
                           xFract="0.75098934"
                           y3="2.05492"
                           yFract="0.24347393"
                           z3="8.39282"
                           zFract="0.37771467"/>
                     <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="-0.01538"
                           xFract="-0.00182227"
                           y3="6.29899"
                           yFract="0.74632583"
                           z3="6.37933"
                           zFract="0.28709856"/>
                     <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="1.88932"
                           xFract="0.22385308"
                           y3="4.19159"
                           yFract="0.49663389"
                           z3="6.30051"
                           zFract="0.28355131"/>
                     <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="0.00171"
                           xFract="0.00020261"
                           y3="4.24892"
                           yFract="0.50342654"
                           z3="4.28615"
                           zFract="0.19289604"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.03431"
                           xFract="-0.00406517"
                           y3="4.21767"
                           yFract="0.49972393"
                           z3="8.45803"
                           zFract="0.38064941"/>
                     <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="2.13807"
                           xFract="0.25332583"
                           y3="6.37205"
                           yFract="0.75498223"
                           z3="4.21649"
                           zFract="0.18976103"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1158"
                           xFract="0.2506872"
                           y3="6.35345"
                           yFract="0.75277844"
                           z3="8.55894"
                           zFract="0.38519082"/>
                     <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="4.24116"
                           xFract="0.50250711"
                           y3="6.28763"
                           yFract="0.74497986"
                           z3="6.36937"
                           zFract="0.28665032"/>
                     <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="6.47486"
                           xFract="0.76716351"
                           y3="4.21121"
                           yFract="0.49895853"
                           z3="6.23563"
                           zFract="0.28063141"/>
                     <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="4.19452"
                           xFract="0.49698104"
                           y3="4.25252"
                           yFract="0.50385308"
                           z3="4.30709"
                           zFract="0.19383843"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23956"
                           xFract="0.50231754"
                           y3="4.21496"
                           yFract="0.49940284"
                           z3="8.48502"
                           zFract="0.38186409"/>
                     <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="6.2923"
                           xFract="0.74553318"
                           y3="6.3992"
                           yFract="0.75819905"
                           z3="4.24256"
                           zFract="0.19093429"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32706"
                           xFract="0.74965166"
                           y3="6.37851"
                           yFract="0.75574763"
                           z3="8.46625"
                           zFract="0.38101935"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.34038"
                           xFract="0.75122986"
                           y3="-0.0137"
                           yFract="-0.00162322"
                           z3="8.4147"
                           zFract="0.37869937"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.02934"
                           xFract="-0.0034763"
                           y3="4.22846"
                           yFract="0.50100237"
                           z3="6.34162"
                           zFract="0.28540144"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34395"
                           xFract="0.75165284"
                           y3="2.13908"
                           yFract="0.2534455"
                           z3="6.36605"
                           zFract="0.2865009"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1059"
                           xFract="0.24951422"
                           y3="0.0024"
                           yFract="0.00028436"
                           z3="8.50371"
                           zFract="0.38270522"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21439"
                           xFract="0.49933531"
                           y3="6.33293"
                           yFract="0.75034716"
                           z3="4.2460"
                           zFract="0.19108911"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.01422"
                           xFract="0.00168483"
                           y3="2.12634"
                           yFract="0.25193602"
                           z3="8.41227"
                           zFract="0.37859001"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32783"
                           xFract="0.74974289"
                           y3="0.01873"
                           yFract="0.00221919"
                           z3="4.20109"
                           zFract="0.18906796"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33212"
                           xFract="0.75025118"
                           y3="6.30063"
                           yFract="0.74652014"
                           z3="6.35565"
                           zFract="0.28603285"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22391"
                           xFract="0.50046327"
                           y3="2.1142"
                           yFract="0.25049763"
                           z3="8.42654"
                           zFract="0.37923222"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00174"
                           xFract="0.00020616"
                           y3="6.32492"
                           yFract="0.7493981"
                           z3="8.46343"
                           zFract="0.38089244"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22485"
                           xFract="0.50057464"
                           y3="6.32682"
                           yFract="0.74962322"
                           z3="8.45522"
                           zFract="0.38052295"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.13943"
                           xFract="0.25348697"
                           y3="2.14989"
                           yFract="0.2547263"
                           z3="6.3703"
                           zFract="0.28669217"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.31963"
                           xFract="0.74877133"
                           y3="4.2065"
                           yFract="0.49840047"
                           z3="4.21158"
                           zFract="0.18954005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.11674"
                           xFract="0.25079858"
                           y3="4.21532"
                           yFract="0.4994455"
                           z3="8.61441"
                           zFract="0.38768722"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2004"
                           xFract="0.49767773"
                           y3="4.21033"
                           yFract="0.49885427"
                           z3="6.39877"
                           zFract="0.28797345"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.22411"
                           xFract="0.50048697"
                           y3="2.09957"
                           yFract="0.24876422"
                           z3="4.23635"
                           zFract="0.19065482"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32555"
                           xFract="0.74947275"
                           y3="4.22973"
                           yFract="0.50115284"
                           z3="8.54714"
                           zFract="0.38465977"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12403"
                           xFract="0.25166232"
                           y3="0.00246"
                           yFract="0.00029147"
                           z3="4.25005"
                           zFract="0.19127138"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00789"
                           xFract="0.00093483"
                           y3="2.10659"
                           yFract="0.24959597"
                           z3="4.23823"
                           zFract="0.19073942"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2034"
                           xFract="0.49803318"
                           y3="0.01658"
                           yFract="0.00196445"
                           z3="6.38111"
                           zFract="0.28717867"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.00662"
                           xFract="-0.00078436"
                           y3="6.32853"
                           yFract="0.74982583"
                           z3="4.25099"
                           zFract="0.19131368"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11124"
                           xFract="0.25014692"
                           y3="4.21656"
                           yFract="0.49959242"
                           z3="4.22728"
                           zFract="0.19024662"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1192"
                           xFract="0.25109005"
                           y3="6.2919"
                           yFract="0.74548578"
                           z3="6.42771"
                           zFract="0.28927588"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.02423"
                           xFract="0.00287085"
                           y3="0.02035"
                           yFract="0.00241114"
                           z3="6.37425"
                           zFract="0.28686994"/>
                     <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="-0.1627"
                           xFract="-0.01927725"
                           y3="2.16404"
                           yFract="0.25640284"
                           z3="6.35928"
                           zFract="0.28619622"/>
                     <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="2.0775"
                           xFract="0.24614929"
                           y3="0.02261"
                           yFract="0.00267891"
                           z3="6.43011"
                           zFract="0.28938389"/>
                     <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="-0.00418"
                           xFract="-0.00049526"
                           y3="-0.03032"
                           yFract="-0.00359242"
                           z3="4.13862"
                           zFract="0.18625653"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00092"
                           xFract="-0.000109"
                           y3="0.01427"
                           yFract="0.00169076"
                           z3="8.52723"
                           zFract="0.38376373"/>
                     <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="2.10412"
                           xFract="0.24930332"
                           y3="2.07436"
                           yFract="0.24577725"
                           z3="4.25293"
                           zFract="0.19140099"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12028"
                           xFract="0.25121801"
                           y3="2.08928"
                           yFract="0.24754502"
                           z3="8.4445"
                           zFract="0.3800405"/>
                     <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="4.4055"
                           xFract="0.52197867"
                           y3="2.16493"
                           yFract="0.25650829"
                           z3="6.37655"
                           zFract="0.28697345"/>
                     <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="6.37485"
                           xFract="0.75531398"
                           y3="-0.0103"
                           yFract="-0.00122038"
                           z3="6.3386"
                           zFract="0.28526553"/>
                     <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="4.23871"
                           xFract="0.50221682"
                           y3="-0.03219"
                           yFract="-0.00381398"
                           z3="4.29674"
                           zFract="0.19337264"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22623"
                           xFract="0.50073815"
                           y3="0.00779"
                           yFract="0.00092299"
                           z3="8.49577"
                           zFract="0.38234788"/>
                     <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="6.3491"
                           xFract="0.75226303"
                           y3="2.0554"
                           yFract="0.24353081"
                           z3="4.25217"
                           zFract="0.19136679"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33795"
                           xFract="0.75094194"
                           y3="2.05436"
                           yFract="0.24340758"
                           z3="8.3930"
                           zFract="0.37772277"/>
                     <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="-0.01582"
                           xFract="-0.00187441"
                           y3="6.29686"
                           yFract="0.74607346"
                           z3="6.37877"
                           zFract="0.28707336"/>
                     <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="1.88962"
                           xFract="0.22388863"
                           y3="4.1934"
                           yFract="0.49684834"
                           z3="6.29778"
                           zFract="0.28342844"/>
                     <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="0.00147"
                           xFract="0.00017417"
                           y3="4.24871"
                           yFract="0.50340166"
                           z3="4.28742"
                           zFract="0.1929532"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.03321"
                           xFract="-0.00393483"
                           y3="4.2175"
                           yFract="0.49970379"
                           z3="8.45546"
                           zFract="0.38053375"/>
                     <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="2.13803"
                           xFract="0.25332109"
                           y3="6.37197"
                           yFract="0.75497275"
                           z3="4.21528"
                           zFract="0.18970657"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11581"
                           xFract="0.25068839"
                           y3="6.35456"
                           yFract="0.75290995"
                           z3="8.55747"
                           zFract="0.38512466"/>
                     <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="4.24163"
                           xFract="0.5025628"
                           y3="6.28884"
                           yFract="0.74512322"
                           z3="6.3674"
                           zFract="0.28656166"/>
                     <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="6.47651"
                           xFract="0.767359"
                           y3="4.21158"
                           yFract="0.49900237"
                           z3="6.23602"
                           zFract="0.28064896"/>
                     <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="4.19511"
                           xFract="0.49705095"
                           y3="4.25342"
                           yFract="0.50395972"
                           z3="4.30674"
                           zFract="0.19382268"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23882"
                           xFract="0.50222986"
                           y3="4.21471"
                           yFract="0.49937322"
                           z3="8.48301"
                           zFract="0.38177363"/>
                     <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="6.29253"
                           xFract="0.74556043"
                           y3="6.39959"
                           yFract="0.75824526"
                           z3="4.24141"
                           zFract="0.19088254"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32717"
                           xFract="0.74966469"
                           y3="6.37857"
                           yFract="0.75575474"
                           z3="8.46527"
                           zFract="0.38097525"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.34333"
                           xFract="0.75157938"
                           y3="-0.01061"
                           yFract="-0.00125711"
                           z3="8.42112"
                           zFract="0.3789883"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.02965"
                           xFract="-0.00351303"
                           y3="4.22604"
                           yFract="0.50071564"
                           z3="6.34433"
                           zFract="0.2855234"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3430"
                           xFract="0.75154028"
                           y3="2.13885"
                           yFract="0.25341825"
                           z3="6.36897"
                           zFract="0.28663231"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1059"
                           xFract="0.24951422"
                           y3="0.00205"
                           yFract="0.00024289"
                           z3="8.51028"
                           zFract="0.3830009"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21477"
                           xFract="0.49938033"
                           y3="6.33239"
                           yFract="0.75028318"
                           z3="4.25027"
                           zFract="0.19128128"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.01478"
                           xFract="0.00175118"
                           y3="2.12865"
                           yFract="0.25220972"
                           z3="8.41712"
                           zFract="0.37880828"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32719"
                           xFract="0.74966706"
                           y3="0.01903"
                           yFract="0.00225474"
                           z3="4.20363"
                           zFract="0.18918227"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33324"
                           xFract="0.75038389"
                           y3="6.30025"
                           yFract="0.74647512"
                           z3="6.35918"
                           zFract="0.28619172"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22609"
                           xFract="0.50072156"
                           y3="2.11682"
                           yFract="0.25080806"
                           z3="8.43162"
                           zFract="0.37946085"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00093"
                           xFract="0.00011019"
                           y3="6.32324"
                           yFract="0.74919905"
                           z3="8.47119"
                           zFract="0.38124167"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22465"
                           xFract="0.50055095"
                           y3="6.32598"
                           yFract="0.7495237"
                           z3="8.46177"
                           zFract="0.38081773"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.13516"
                           xFract="0.25298104"
                           y3="2.14937"
                           yFract="0.25466469"
                           z3="6.3719"
                           zFract="0.28676418"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.31506"
                           xFract="0.74822986"
                           y3="4.20681"
                           yFract="0.4984372"
                           z3="4.20954"
                           zFract="0.18944824"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.11657"
                           xFract="0.25077844"
                           y3="4.2159"
                           yFract="0.49951422"
                           z3="8.61901"
                           zFract="0.38789424"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.20181"
                           xFract="0.49784479"
                           y3="4.21319"
                           yFract="0.49919313"
                           z3="6.40408"
                           zFract="0.28821242"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.22501"
                           xFract="0.5005936"
                           y3="2.09898"
                           yFract="0.24869431"
                           z3="4.23903"
                           zFract="0.19077543"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3258"
                           xFract="0.74950237"
                           y3="4.22949"
                           yFract="0.50112441"
                           z3="8.5532"
                           zFract="0.38493249"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12567"
                           xFract="0.25185664"
                           y3="0.00202"
                           yFract="0.00023934"
                           z3="4.25327"
                           zFract="0.19141629"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00846"
                           xFract="0.00100237"
                           y3="2.10663"
                           yFract="0.24960071"
                           z3="4.24087"
                           zFract="0.19085824"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.20719"
                           xFract="0.49848223"
                           y3="0.01667"
                           yFract="0.00197512"
                           z3="6.38495"
                           zFract="0.28735149"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.00821"
                           xFract="-0.00097275"
                           y3="6.32985"
                           yFract="0.74998223"
                           z3="4.25349"
                           zFract="0.19142619"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11061"
                           xFract="0.25007227"
                           y3="4.21518"
                           yFract="0.49942891"
                           z3="4.22921"
                           zFract="0.19033348"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.11761"
                           xFract="0.25090166"
                           y3="6.29192"
                           yFract="0.74548815"
                           z3="6.43432"
                           zFract="0.28957336"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.02347"
                           xFract="0.00278081"
                           y3="0.01958"
                           yFract="0.00231991"
                           z3="6.37987"
                           zFract="0.28712286"/>
                     <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="-0.16567"
                           xFract="-0.01962915"
                           y3="2.15443"
                           yFract="0.25526422"
                           z3="6.36086"
                           zFract="0.28626733"/>
                     <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="2.0829"
                           xFract="0.2467891"
                           y3="0.03103"
                           yFract="0.00367654"
                           z3="6.43553"
                           zFract="0.28962781"/>
                     <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="-0.00513"
                           xFract="-0.00060782"
                           y3="-0.03048"
                           yFract="-0.00361137"
                           z3="4.14095"
                           zFract="0.18636139"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.0000"
                           xFract="0.0000"
                           y3="0.01475"
                           yFract="0.00174763"
                           z3="8.53721"
                           zFract="0.38421287"/>
                     <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="2.1043"
                           xFract="0.24932464"
                           y3="2.07484"
                           yFract="0.24583412"
                           z3="4.25128"
                           zFract="0.19132673"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12181"
                           xFract="0.25139929"
                           y3="2.09303"
                           yFract="0.24798934"
                           z3="8.45105"
                           zFract="0.38033528"/>
                     <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="4.40437"
                           xFract="0.52184479"
                           y3="2.16842"
                           yFract="0.2569218"
                           z3="6.37903"
                           zFract="0.28708506"/>
                     <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="6.37053"
                           xFract="0.75480213"
                           y3="-0.0074"
                           yFract="-0.00087678"
                           z3="6.34279"
                           zFract="0.2854541"/>
                     <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="4.2381"
                           xFract="0.50214455"
                           y3="-0.0322"
                           yFract="-0.00381517"
                           z3="4.29862"
                           zFract="0.19345725"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22772"
                           xFract="0.50091469"
                           y3="0.01023"
                           yFract="0.00121209"
                           z3="8.50087"
                           zFract="0.38257741"/>
                     <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="6.34974"
                           xFract="0.75233886"
                           y3="2.05829"
                           yFract="0.24387322"
                           z3="4.25728"
                           zFract="0.19159676"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33791"
                           xFract="0.7509372"
                           y3="2.05371"
                           yFract="0.24333057"
                           z3="8.39186"
                           zFract="0.37767147"/>
                     <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="-0.01553"
                           xFract="-0.00184005"
                           y3="6.30406"
                           yFract="0.74692654"
                           z3="6.38469"
                           zFract="0.28733978"/>
                     <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="1.89393"
                           xFract="0.22439929"
                           y3="4.18732"
                           yFract="0.49612796"
                           z3="6.29873"
                           zFract="0.2834712"/>
                     <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="0.00534"
                           xFract="0.0006327"
                           y3="4.24869"
                           yFract="0.50339929"
                           z3="4.28883"
                           zFract="0.19301665"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.03635"
                           xFract="-0.00430687"
                           y3="4.21825"
                           yFract="0.49979265"
                           z3="8.45831"
                           zFract="0.38066202"/>
                     <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="2.1382"
                           xFract="0.25334123"
                           y3="6.37249"
                           yFract="0.75503436"
                           z3="4.22082"
                           zFract="0.1899559"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11365"
                           xFract="0.25043246"
                           y3="6.35401"
                           yFract="0.75284479"
                           z3="8.56035"
                           zFract="0.38525428"/>
                     <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="4.23951"
                           xFract="0.50231161"
                           y3="6.28647"
                           yFract="0.74484242"
                           z3="6.36865"
                           zFract="0.28661791"/>
                     <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="6.47959"
                           xFract="0.76772393"
                           y3="4.21274"
                           yFract="0.49913981"
                           z3="6.23639"
                           zFract="0.28066562"/>
                     <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="4.19297"
                           xFract="0.49679739"
                           y3="4.25246"
                           yFract="0.50384597"
                           z3="4.30401"
                           zFract="0.19369982"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.24379"
                           xFract="0.50281872"
                           y3="4.21341"
                           yFract="0.49921919"
                           z3="8.49083"
                           zFract="0.38212556"/>
                     <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="6.29148"
                           xFract="0.74543602"
                           y3="6.39916"
                           yFract="0.75819431"
                           z3="4.24533"
                           zFract="0.19105896"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33033"
                           xFract="0.7500391"
                           y3="6.37926"
                           yFract="0.75583649"
                           z3="8.46743"
                           zFract="0.38107246"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.34645"
                           xFract="0.75194905"
                           y3="-0.00735"
                           yFract="-0.00087085"
                           z3="8.42793"
                           zFract="0.37929478"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.02997"
                           xFract="-0.00355095"
                           y3="4.22348"
                           yFract="0.50041232"
                           z3="6.3472"
                           zFract="0.28565257"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34198"
                           xFract="0.75141943"
                           y3="2.1386"
                           yFract="0.25338863"
                           z3="6.37207"
                           zFract="0.28677183"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10591"
                           xFract="0.2495154"
                           y3="0.00168"
                           yFract="0.00019905"
                           z3="8.51725"
                           zFract="0.38331458"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21517"
                           xFract="0.49942773"
                           y3="6.33183"
                           yFract="0.75021682"
                           z3="4.2548"
                           zFract="0.19148515"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.01538"
                           xFract="0.00182227"
                           y3="2.13108"
                           yFract="0.25249763"
                           z3="8.42225"
                           zFract="0.37903915"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32651"
                           xFract="0.74958649"
                           y3="0.01936"
                           yFract="0.00229384"
                           z3="4.20631"
                           zFract="0.18930288"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33443"
                           xFract="0.75052488"
                           y3="6.29985"
                           yFract="0.74642773"
                           z3="6.36291"
                           zFract="0.28635959"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22841"
                           xFract="0.50099645"
                           y3="2.1196"
                           yFract="0.25113744"
                           z3="8.4370"
                           zFract="0.37970297"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00008"
                           xFract="0.00000948"
                           y3="6.32145"
                           yFract="0.74898697"
                           z3="8.47941"
                           zFract="0.38161161"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22444"
                           xFract="0.50052607"
                           y3="6.3251"
                           yFract="0.74941943"
                           z3="8.46872"
                           zFract="0.38113051"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.13064"
                           xFract="0.2524455"
                           y3="2.14881"
                           yFract="0.25459834"
                           z3="6.37359"
                           zFract="0.28684023"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.31022"
                           xFract="0.7476564"
                           y3="4.20713"
                           yFract="0.49847512"
                           z3="4.20738"
                           zFract="0.18935104"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.11638"
                           xFract="0.25075592"
                           y3="4.21651"
                           yFract="0.49958649"
                           z3="8.62388"
                           zFract="0.38811341"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2033"
                           xFract="0.49802133"
                           y3="4.21622"
                           yFract="0.49955213"
                           z3="6.40969"
                           zFract="0.2884649"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.22596"
                           xFract="0.50070616"
                           y3="2.09836"
                           yFract="0.24862085"
                           z3="4.24186"
                           zFract="0.19090279"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32607"
                           xFract="0.74953436"
                           y3="4.22924"
                           yFract="0.50109479"
                           z3="8.55962"
                           zFract="0.38522142"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12741"
                           xFract="0.2520628"
                           y3="0.00156"
                           yFract="0.00018483"
                           z3="4.25667"
                           zFract="0.19156931"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00906"
                           xFract="0.00107346"
                           y3="2.10667"
                           yFract="0.24960545"
                           z3="4.24367"
                           zFract="0.19098425"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2112"
                           xFract="0.49895735"
                           y3="0.01677"
                           yFract="0.00198697"
                           z3="6.38902"
                           zFract="0.28753465"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.00989"
                           xFract="-0.0011718"
                           y3="6.33124"
                           yFract="0.75014692"
                           z3="4.25613"
                           zFract="0.191545"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.10994"
                           xFract="0.24999289"
                           y3="4.21371"
                           yFract="0.49925474"
                           z3="4.23126"
                           zFract="0.19042574"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.11592"
                           xFract="0.25070142"
                           y3="6.29194"
                           yFract="0.74549052"
                           z3="6.44132"
                           zFract="0.28988839"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.02266"
                           xFract="0.00268483"
                           y3="0.01877"
                           yFract="0.00222393"
                           z3="6.38582"
                           zFract="0.28739064"/>
                     <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="-0.16882"
                           xFract="-0.02000237"
                           y3="2.14425"
                           yFract="0.25405806"
                           z3="6.36253"
                           zFract="0.28634248"/>
                     <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="2.08861"
                           xFract="0.24746564"
                           y3="0.03995"
                           yFract="0.00473341"
                           z3="6.44127"
                           zFract="0.28988614"/>
                     <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="-0.00614"
                           xFract="-0.00072749"
                           y3="-0.03066"
                           yFract="-0.0036327"
                           z3="4.14343"
                           zFract="0.186473"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00097"
                           xFract="0.00011493"
                           y3="0.01525"
                           yFract="0.00180687"
                           z3="8.54777"
                           zFract="0.38468812"/>
                     <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="2.10449"
                           xFract="0.24934716"
                           y3="2.07534"
                           yFract="0.24589336"
                           z3="4.24954"
                           zFract="0.19124842"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12344"
                           xFract="0.25159242"
                           y3="2.0970"
                           yFract="0.24845972"
                           z3="8.45798"
                           zFract="0.38064716"/>
                     <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="4.40316"
                           xFract="0.52170142"
                           y3="2.17212"
                           yFract="0.25736019"
                           z3="6.38165"
                           zFract="0.28720297"/>
                     <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="6.36596"
                           xFract="0.75426066"
                           y3="-0.00432"
                           yFract="-0.00051185"
                           z3="6.34722"
                           zFract="0.28565347"/>
                     <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="4.23745"
                           xFract="0.50206754"
                           y3="-0.03222"
                           yFract="-0.00381754"
                           z3="4.3006"
                           zFract="0.19354635"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2293"
                           xFract="0.5011019"
                           y3="0.01281"
                           yFract="0.00151777"
                           z3="8.50628"
                           zFract="0.38282088"/>
                     <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="6.35041"
                           xFract="0.75241825"
                           y3="2.06135"
                           yFract="0.24423578"
                           z3="4.2627"
                           zFract="0.19184068"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33787"
                           xFract="0.75093246"
                           y3="2.05301"
                           yFract="0.24324763"
                           z3="8.39065"
                           zFract="0.37761701"/>
                     <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="-0.01521"
                           xFract="-0.00180213"
                           y3="6.31168"
                           yFract="0.74782938"
                           z3="6.39096"
                           zFract="0.28762196"/>
                     <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="1.8985"
                           xFract="0.22494076"
                           y3="4.18088"
                           yFract="0.49536493"
                           z3="6.29974"
                           zFract="0.28351665"/>
                     <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="0.00944"
                           xFract="0.00111848"
                           y3="4.24866"
                           yFract="0.50339573"
                           z3="4.29033"
                           zFract="0.19308416"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.03968"
                           xFract="-0.00470142"
                           y3="4.21905"
                           yFract="0.49988744"
                           z3="8.46134"
                           zFract="0.38079838"/>
                     <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="2.13838"
                           xFract="0.25336256"
                           y3="6.37305"
                           yFract="0.75510071"
                           z3="4.2267"
                           zFract="0.19022052"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11137"
                           xFract="0.25016232"
                           y3="6.35343"
                           yFract="0.75277607"
                           z3="8.5634"
                           zFract="0.38539154"/>
                     <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="4.23727"
                           xFract="0.50204621"
                           y3="6.28396"
                           yFract="0.74454502"
                           z3="6.36998"
                           zFract="0.28667777"/>
                     <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="6.48285"
                           xFract="0.76811019"
                           y3="4.21397"
                           yFract="0.49928555"
                           z3="6.23679"
                           zFract="0.28068362"/>
                     <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="4.19071"
                           xFract="0.49652962"
                           y3="4.25143"
                           yFract="0.50372393"
                           z3="4.30113"
                           zFract="0.19357021"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.24905"
                           xFract="0.50344194"
                           y3="4.21204"
                           yFract="0.49905687"
                           z3="8.49911"
                           zFract="0.3824982"/>
                     <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="6.29036"
                           xFract="0.74530332"
                           y3="6.39871"
                           yFract="0.758141"
                           z3="4.24948"
                           zFract="0.19124572"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33367"
                           xFract="0.75043483"
                           y3="6.37999"
                           yFract="0.75592299"
                           z3="8.46973"
                           zFract="0.38117597"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.34834"
                           xFract="0.75217299"
                           y3="-0.00732"
                           yFract="-0.0008673"
                           z3="8.43291"
                           zFract="0.3795189"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.0269"
                           xFract="-0.0031872"
                           y3="4.22339"
                           yFract="0.50040166"
                           z3="6.34801"
                           zFract="0.28568902"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33728"
                           xFract="0.75086256"
                           y3="2.13943"
                           yFract="0.25348697"
                           z3="6.37257"
                           zFract="0.28679433"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10614"
                           xFract="0.24954265"
                           y3="0.00484"
                           yFract="0.00057346"
                           z3="8.52195"
                           zFract="0.3835261"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21407"
                           xFract="0.49929739"
                           y3="6.33202"
                           yFract="0.75023934"
                           z3="4.25717"
                           zFract="0.19159181"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0156"
                           xFract="0.00184834"
                           y3="2.12975"
                           yFract="0.25234005"
                           z3="8.42704"
                           zFract="0.37925473"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32682"
                           xFract="0.74962322"
                           y3="0.02009"
                           yFract="0.00238033"
                           z3="4.20854"
                           zFract="0.18940324"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33606"
                           xFract="0.75071801"
                           y3="6.29886"
                           yFract="0.74631043"
                           z3="6.36693"
                           zFract="0.2865405"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22789"
                           xFract="0.50093483"
                           y3="2.11995"
                           yFract="0.25117891"
                           z3="8.44106"
                           zFract="0.37988569"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00181"
                           xFract="-0.00021445"
                           y3="6.32332"
                           yFract="0.74920853"
                           z3="8.48403"
                           zFract="0.38181953"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2266"
                           xFract="0.50078199"
                           y3="6.32665"
                           yFract="0.74960308"
                           z3="8.47316"
                           zFract="0.38133033"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.12676"
                           xFract="0.25198578"
                           y3="2.14772"
                           yFract="0.25446919"
                           z3="6.37689"
                           zFract="0.28698875"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3121"
                           xFract="0.74787915"
                           y3="4.20776"
                           yFract="0.49854976"
                           z3="4.20777"
                           zFract="0.18936859"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.11811"
                           xFract="0.2509609"
                           y3="4.21567"
                           yFract="0.49948697"
                           z3="8.62937"
                           zFract="0.38836049"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.20596"
                           xFract="0.49833649"
                           y3="4.21591"
                           yFract="0.4995154"
                           z3="6.41269"
                           zFract="0.28859991"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2250"
                           xFract="0.50059242"
                           y3="2.09763"
                           yFract="0.24853436"
                           z3="4.24369"
                           zFract="0.19098515"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32621"
                           xFract="0.74955095"
                           y3="4.23014"
                           yFract="0.50120142"
                           z3="8.5658"
                           zFract="0.38549955"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12646"
                           xFract="0.25195024"
                           y3="0.00164"
                           yFract="0.00019431"
                           z3="4.25917"
                           zFract="0.19168182"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00948"
                           xFract="0.00112322"
                           y3="2.10552"
                           yFract="0.24946919"
                           z3="4.24449"
                           zFract="0.19102115"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.21343"
                           xFract="0.49922156"
                           y3="0.01666"
                           yFract="0.00197393"
                           z3="6.39333"
                           zFract="0.28772862"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.01055"
                           xFract="-0.00125"
                           y3="6.33103"
                           yFract="0.75012204"
                           z3="4.25962"
                           zFract="0.19170207"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.10989"
                           xFract="0.24998697"
                           y3="4.21373"
                           yFract="0.49925711"
                           z3="4.23233"
                           zFract="0.1904739"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.11334"
                           xFract="0.25039573"
                           y3="6.29261"
                           yFract="0.74556991"
                           z3="6.44403"
                           zFract="0.29001035"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.02283"
                           xFract="0.00270498"
                           y3="0.01618"
                           yFract="0.00191706"
                           z3="6.39271"
                           zFract="0.28770072"/>
                     <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="-0.16967"
                           xFract="-0.02010308"
                           y3="2.13609"
                           yFract="0.25309123"
                           z3="6.36784"
                           zFract="0.28658146"/>
                     <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="2.09299"
                           xFract="0.2479846"
                           y3="0.04834"
                           yFract="0.00572749"
                           z3="6.44537"
                           zFract="0.29007066"/>
                     <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="-0.00637"
                           xFract="-0.00075474"
                           y3="-0.02901"
                           yFract="-0.0034372"
                           z3="4.14388"
                           zFract="0.18649325"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00208"
                           xFract="0.00024645"
                           y3="0.01664"
                           yFract="0.00197156"
                           z3="8.55778"
                           zFract="0.38513861"/>
                     <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="2.1039"
                           xFract="0.24927725"
                           y3="2.07259"
                           yFract="0.24556754"
                           z3="4.24812"
                           zFract="0.19118452"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12249"
                           xFract="0.25147986"
                           y3="2.09956"
                           yFract="0.24876303"
                           z3="8.46667"
                           zFract="0.38103825"/>
                     <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="4.4038"
                           xFract="0.52177725"
                           y3="2.17644"
                           yFract="0.25787204"
                           z3="6.38514"
                           zFract="0.28736004"/>
                     <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="6.36157"
                           xFract="0.75374052"
                           y3="-0.00392"
                           yFract="-0.00046445"
                           z3="6.35166"
                           zFract="0.28585329"/>
                     <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="4.23807"
                           xFract="0.502141"
                           y3="-0.03193"
                           yFract="-0.00378318"
                           z3="4.3000"
                           zFract="0.19351935"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22987"
                           xFract="0.50116943"
                           y3="0.0129"
                           yFract="0.00152844"
                           z3="8.51254"
                           zFract="0.38310261"/>
                     <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="6.35046"
                           xFract="0.75242417"
                           y3="2.06237"
                           yFract="0.24435664"
                           z3="4.26585"
                           zFract="0.19198245"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33906"
                           xFract="0.75107346"
                           y3="2.05262"
                           yFract="0.24320142"
                           z3="8.39322"
                           zFract="0.37773267"/>
                     <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="-0.01304"
                           xFract="-0.00154502"
                           y3="6.31878"
                           yFract="0.74867062"
                           z3="6.39718"
                           zFract="0.28790189"/>
                     <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="1.9004"
                           xFract="0.22516588"
                           y3="4.17665"
                           yFract="0.49486374"
                           z3="6.30023"
                           zFract="0.2835387"/>
                     <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="0.01014"
                           xFract="0.00120142"
                           y3="4.2489"
                           yFract="0.50342417"
                           z3="4.29752"
                           zFract="0.19340774"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.04177"
                           xFract="-0.00494905"
                           y3="4.2175"
                           yFract="0.49970379"
                           z3="8.46143"
                           zFract="0.38080243"/>
                     <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="2.13752"
                           xFract="0.25326066"
                           y3="6.37417"
                           yFract="0.75523341"
                           z3="4.23156"
                           zFract="0.19043924"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11219"
                           xFract="0.25025948"
                           y3="6.35289"
                           yFract="0.75271209"
                           z3="8.56672"
                           zFract="0.38554095"/>
                     <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="4.23631"
                           xFract="0.50193246"
                           y3="6.28304"
                           yFract="0.74443602"
                           z3="6.37483"
                           zFract="0.28689604"/>
                     <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="6.48601"
                           xFract="0.7684846"
                           y3="4.21461"
                           yFract="0.49936137"
                           z3="6.23651"
                           zFract="0.28067102"/>
                     <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="4.18916"
                           xFract="0.49634597"
                           y3="4.25219"
                           yFract="0.50381398"
                           z3="4.29915"
                           zFract="0.1934811"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.25394"
                           xFract="0.50402133"
                           y3="4.21422"
                           yFract="0.49931517"
                           z3="8.50744"
                           zFract="0.38287309"/>
                     <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="6.29033"
                           xFract="0.74529976"
                           y3="6.39883"
                           yFract="0.75815521"
                           z3="4.25187"
                           zFract="0.19135329"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33305"
                           xFract="0.75036137"
                           y3="6.38245"
                           yFract="0.75621445"
                           z3="8.47374"
                           zFract="0.38135644"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.35069"
                           xFract="0.75245142"
                           y3="-0.00729"
                           yFract="-0.00086374"
                           z3="8.43911"
                           zFract="0.37979793"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.02308"
                           xFract="-0.0027346"
                           y3="4.22328"
                           yFract="0.50038863"
                           z3="6.34902"
                           zFract="0.28573447"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33142"
                           xFract="0.75016825"
                           y3="2.14046"
                           yFract="0.253609"
                           z3="6.3732"
                           zFract="0.28682268"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10642"
                           xFract="0.24957583"
                           y3="0.00879"
                           yFract="0.00104147"
                           z3="8.5278"
                           zFract="0.38378938"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21269"
                           xFract="0.49913389"
                           y3="6.33226"
                           yFract="0.75026777"
                           z3="4.26013"
                           zFract="0.19172502"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.01587"
                           xFract="0.00188033"
                           y3="2.12808"
                           yFract="0.25214218"
                           z3="8.43301"
                           zFract="0.3795234"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32722"
                           xFract="0.74967062"
                           y3="0.02101"
                           yFract="0.00248934"
                           z3="4.21133"
                           zFract="0.1895288"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.3381"
                           xFract="0.75095972"
                           y3="6.29764"
                           yFract="0.74616588"
                           z3="6.37195"
                           zFract="0.28676643"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22726"
                           xFract="0.50086019"
                           y3="2.12039"
                           yFract="0.25123104"
                           z3="8.44613"
                           zFract="0.38011386"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00416"
                           xFract="-0.00049289"
                           y3="6.32565"
                           yFract="0.7494846"
                           z3="8.48979"
                           zFract="0.38207876"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22928"
                           xFract="0.50109953"
                           y3="6.32858"
                           yFract="0.74983175"
                           z3="8.4787"
                           zFract="0.38157966"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.12192"
                           xFract="0.25141232"
                           y3="2.14635"
                           yFract="0.25430687"
                           z3="6.3810"
                           zFract="0.28717372"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.31443"
                           xFract="0.74815521"
                           y3="4.20855"
                           yFract="0.49864336"
                           z3="4.20825"
                           zFract="0.18939019"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.12027"
                           xFract="0.25121682"
                           y3="4.21462"
                           yFract="0.49936256"
                           z3="8.63621"
                           zFract="0.38866832"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.20927"
                           xFract="0.49872867"
                           y3="4.21553"
                           yFract="0.49947038"
                           z3="6.41642"
                           zFract="0.28876778"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2238"
                           xFract="0.50045024"
                           y3="2.09673"
                           yFract="0.24842773"
                           z3="4.24597"
                           zFract="0.19108776"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32638"
                           xFract="0.74957109"
                           y3="4.23127"
                           yFract="0.50133531"
                           z3="8.57349"
                           zFract="0.38584563"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12527"
                           xFract="0.25180924"
                           y3="0.00174"
                           yFract="0.00020616"
                           z3="4.26228"
                           zFract="0.19182178"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01002"
                           xFract="0.0011872"
                           y3="2.10408"
                           yFract="0.24929858"
                           z3="4.24551"
                           zFract="0.19106706"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.21621"
                           xFract="0.49955095"
                           y3="0.01654"
                           yFract="0.00195972"
                           z3="6.3987"
                           zFract="0.2879703"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.01138"
                           xFract="-0.00134834"
                           y3="6.33076"
                           yFract="0.75009005"
                           z3="4.26397"
                           zFract="0.19189784"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.10982"
                           xFract="0.24997867"
                           y3="4.21375"
                           yFract="0.49925948"
                           z3="4.23366"
                           zFract="0.19053375"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.11012"
                           xFract="0.25001422"
                           y3="6.29345"
                           yFract="0.74566943"
                           z3="6.44741"
                           zFract="0.29016247"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.02304"
                           xFract="0.00272986"
                           y3="0.01296"
                           yFract="0.00153555"
                           z3="6.4013"
                           zFract="0.28808731"/>
                     <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="-0.17074"
                           xFract="-0.02022986"
                           y3="2.1259"
                           yFract="0.25188389"
                           z3="6.37446"
                           zFract="0.28687939"/>
                     <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="2.09844"
                           xFract="0.24863033"
                           y3="0.0588"
                           yFract="0.00696682"
                           z3="6.45049"
                           zFract="0.29030108"/>
                     <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="-0.00665"
                           xFract="-0.00078791"
                           y3="-0.02695"
                           yFract="-0.00319313"
                           z3="4.14445"
                           zFract="0.1865189"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00347"
                           xFract="0.00041114"
                           y3="0.01838"
                           yFract="0.00217773"
                           z3="8.57025"
                           zFract="0.38569982"/>
                     <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="2.10317"
                           xFract="0.24919076"
                           y3="2.06917"
                           yFract="0.24516232"
                           z3="4.24634"
                           zFract="0.19110441"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12131"
                           xFract="0.25134005"
                           y3="2.10275"
                           yFract="0.249141"
                           z3="8.47751"
                           zFract="0.3815261"/>
                     <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="4.40461"
                           xFract="0.52187322"
                           y3="2.18182"
                           yFract="0.25850948"
                           z3="6.38948"
                           zFract="0.28755536"/>
                     <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="6.35609"
                           xFract="0.75309123"
                           y3="-0.00343"
                           yFract="-0.0004064"
                           z3="6.35719"
                           zFract="0.28610216"/>
                     <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="4.23886"
                           xFract="0.5022346"
                           y3="-0.03157"
                           yFract="-0.00374052"
                           z3="4.29925"
                           zFract="0.1934856"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23057"
                           xFract="0.50125237"
                           y3="0.01301"
                           yFract="0.00154147"
                           z3="8.52036"
                           zFract="0.38345455"/>
                     <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="6.35051"
                           xFract="0.75243009"
                           y3="2.06363"
                           yFract="0.24450592"
                           z3="4.26977"
                           zFract="0.19215887"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34054"
                           xFract="0.75124882"
                           y3="2.05212"
                           yFract="0.24314218"
                           z3="8.39642"
                           zFract="0.37787669"/>
                     <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="-0.01033"
                           xFract="-0.00122393"
                           y3="6.32764"
                           yFract="0.74972038"
                           z3="6.40494"
                           zFract="0.28825113"/>
                     <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="1.90277"
                           xFract="0.22544668"
                           y3="4.17139"
                           yFract="0.49424052"
                           z3="6.30084"
                           zFract="0.28356616"/>
                     <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="0.01102"
                           xFract="0.00130569"
                           y3="4.2492"
                           yFract="0.50345972"
                           z3="4.30648"
                           zFract="0.19381098"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.04438"
                           xFract="-0.00525829"
                           y3="4.21558"
                           yFract="0.4994763"
                           z3="8.46155"
                           zFract="0.38080783"/>
                     <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="2.13645"
                           xFract="0.25313389"
                           y3="6.37557"
                           yFract="0.75539929"
                           z3="4.23761"
                           zFract="0.19071152"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11322"
                           xFract="0.25038152"
                           y3="6.35223"
                           yFract="0.75263389"
                           z3="8.57086"
                           zFract="0.38572727"/>
                     <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="4.23512"
                           xFract="0.50179147"
                           y3="6.28188"
                           yFract="0.74429858"
                           z3="6.38089"
                           zFract="0.28716877"/>
                     <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="6.48996"
                           xFract="0.76895261"
                           y3="4.2154"
                           yFract="0.49945498"
                           z3="6.23618"
                           zFract="0.28065617"/>
                     <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="4.18724"
                           xFract="0.49611848"
                           y3="4.25314"
                           yFract="0.50392654"
                           z3="4.29669"
                           zFract="0.19337039"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26003"
                           xFract="0.50474289"
                           y3="4.21694"
                           yFract="0.49963744"
                           z3="8.51783"
                           zFract="0.38334068"/>
                     <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="6.29029"
                           xFract="0.74529502"
                           y3="6.39897"
                           yFract="0.7581718"
                           z3="4.25485"
                           zFract="0.1914874"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33227"
                           xFract="0.75026896"
                           y3="6.38552"
                           yFract="0.7565782"
                           z3="8.47875"
                           zFract="0.38158191"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a46" 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="6.35067"
                           xFract="0.75244905"
                           y3="-0.00641"
                           yFract="-0.00075948"
                           z3="8.44266"
                           zFract="0.3799577"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.02156"
                           xFract="-0.0025545"
                           y3="4.22085"
                           yFract="0.50010071"
                           z3="6.35233"
                           zFract="0.28588344"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33833"
                           xFract="0.75098697"
                           y3="2.14216"
                           yFract="0.25381043"
                           z3="6.37697"
                           zFract="0.28699235"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10747"
                           xFract="0.24970024"
                           y3="0.01128"
                           yFract="0.00133649"
                           z3="8.53102"
                           zFract="0.38393429"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21154"
                           xFract="0.49899763"
                           y3="6.33278"
                           yFract="0.75032938"
                           z3="4.26149"
                           zFract="0.19178623"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0146"
                           xFract="0.00172986"
                           y3="2.12627"
                           yFract="0.25192773"
                           z3="8.43696"
                           zFract="0.37970117"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32816"
                           xFract="0.74978199"
                           y3="0.02149"
                           yFract="0.00254621"
                           z3="4.21271"
                           zFract="0.18959091"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.3382"
                           xFract="0.75097156"
                           y3="6.29677"
                           yFract="0.7460628"
                           z3="6.37532"
                           zFract="0.28691809"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22639"
                           xFract="0.50075711"
                           y3="2.12009"
                           yFract="0.2511955"
                           z3="8.45055"
                           zFract="0.38031278"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00391"
                           xFract="-0.00046327"
                           y3="6.32764"
                           yFract="0.74972038"
                           z3="8.49391"
                           zFract="0.38226418"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.23016"
                           xFract="0.50120379"
                           y3="6.33089"
                           yFract="0.75010545"
                           z3="8.48206"
                           zFract="0.38173087"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.11813"
                           xFract="0.25096327"
                           y3="2.14705"
                           yFract="0.25438981"
                           z3="6.38575"
                           zFract="0.28738749"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3183"
                           xFract="0.74861374"
                           y3="4.20916"
                           yFract="0.49871564"
                           z3="4.21005"
                           zFract="0.1894712"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.12262"
                           xFract="0.25149526"
                           y3="4.21474"
                           yFract="0.49937678"
                           z3="8.64169"
                           zFract="0.38891494"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.21193"
                           xFract="0.49904384"
                           y3="4.21597"
                           yFract="0.49952251"
                           z3="6.41874"
                           zFract="0.28887219"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.22142"
                           xFract="0.50016825"
                           y3="2.09683"
                           yFract="0.24843957"
                           z3="4.24678"
                           zFract="0.19112421"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32738"
                           xFract="0.74968957"
                           y3="4.23173"
                           yFract="0.50138981"
                           z3="8.57866"
                           zFract="0.38607831"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1233"
                           xFract="0.25157583"
                           y3="0.00203"
                           yFract="0.00024052"
                           z3="4.26355"
                           zFract="0.19187894"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0100"
                           xFract="0.00118483"
                           y3="2.10317"
                           yFract="0.24919076"
                           z3="4.24692"
                           zFract="0.19113051"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.21655"
                           xFract="0.49959123"
                           y3="0.0157"
                           yFract="0.00186019"
                           z3="6.40228"
                           zFract="0.28813141"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.01151"
                           xFract="-0.00136374"
                           y3="6.3310"
                           yFract="0.75011848"
                           z3="4.26614"
                           zFract="0.1919955"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11072"
                           xFract="0.25008531"
                           y3="4.21367"
                           yFract="0.49925"
                           z3="4.23357"
                           zFract="0.1905297"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1102"
                           xFract="0.2500237"
                           y3="6.29343"
                           yFract="0.74566706"
                           z3="6.44991"
                           zFract="0.29027498"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.02307"
                           xFract="0.00273341"
                           y3="0.01244"
                           yFract="0.00147393"
                           z3="6.40777"
                           zFract="0.28837849"/>
                     <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="-0.17415"
                           xFract="-0.02063389"
                           y3="2.11924"
                           yFract="0.25109479"
                           z3="6.3788"
                           zFract="0.28707471"/>
                     <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="2.10165"
                           xFract="0.24901066"
                           y3="0.06572"
                           yFract="0.00778673"
                           z3="6.45452"
                           zFract="0.29048245"/>
                     <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="-0.00671"
                           xFract="-0.00079502"
                           y3="-0.02634"
                           yFract="-0.00312085"
                           z3="4.14379"
                           zFract="0.1864892"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00449"
                           xFract="0.00053199"
                           y3="0.01873"
                           yFract="0.00221919"
                           z3="8.57973"
                           zFract="0.38612646"/>
                     <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="2.10211"
                           xFract="0.24906517"
                           y3="2.06604"
                           yFract="0.24479147"
                           z3="4.24563"
                           zFract="0.19107246"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12044"
                           xFract="0.25123697"
                           y3="2.10505"
                           yFract="0.24941351"
                           z3="8.48583"
                           zFract="0.38190054"/>
                     <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="4.40247"
                           xFract="0.52161967"
                           y3="2.18581"
                           yFract="0.25898223"
                           z3="6.3934"
                           zFract="0.28773177"/>
                     <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="6.35266"
                           xFract="0.75268483"
                           y3="-0.00502"
                           yFract="-0.00059479"
                           z3="6.36051"
                           zFract="0.28625158"/>
                     <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="4.23936"
                           xFract="0.50229384"
                           y3="-0.03118"
                           yFract="-0.00369431"
                           z3="4.29857"
                           zFract="0.193455"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23036"
                           xFract="0.50122749"
                           y3="0.01336"
                           yFract="0.00158294"
                           z3="8.52624"
                           zFract="0.38371917"/>
                     <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="6.34983"
                           xFract="0.75234953"
                           y3="2.06318"
                           yFract="0.24445261"
                           z3="4.27136"
                           zFract="0.19223042"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33931"
                           xFract="0.75110308"
                           y3="2.0516"
                           yFract="0.24308057"
                           z3="8.39971"
                           zFract="0.37802475"/>
                     <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="-0.00852"
                           xFract="-0.00100948"
                           y3="6.33536"
                           yFract="0.75063507"
                           z3="6.41028"
                           zFract="0.28849145"/>
                     <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="1.90463"
                           xFract="0.22566706"
                           y3="4.16832"
                           yFract="0.49387678"
                           z3="6.30255"
                           zFract="0.28364311"/>
                     <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="0.0115"
                           xFract="0.00136256"
                           y3="4.24919"
                           yFract="0.50345853"
                           z3="4.3168"
                           zFract="0.19427543"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.04554"
                           xFract="-0.00539573"
                           y3="4.21557"
                           yFract="0.49947512"
                           z3="8.45954"
                           zFract="0.38071737"/>
                     <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="2.13451"
                           xFract="0.25290403"
                           y3="6.37747"
                           yFract="0.75562441"
                           z3="4.24142"
                           zFract="0.19088299"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11455"
                           xFract="0.2505391"
                           y3="6.35179"
                           yFract="0.75258175"
                           z3="8.57326"
                           zFract="0.38583528"/>
                     <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="4.23492"
                           xFract="0.50176777"
                           y3="6.28084"
                           yFract="0.74417536"
                           z3="6.3860"
                           zFract="0.28739874"/>
                     <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="6.49264"
                           xFract="0.76927014"
                           y3="4.21566"
                           yFract="0.49948578"
                           z3="6.23638"
                           zFract="0.28066517"/>
                     <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="4.18717"
                           xFract="0.49611019"
                           y3="4.25402"
                           yFract="0.50403081"
                           z3="4.29621"
                           zFract="0.19334878"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26391"
                           xFract="0.50520261"
                           y3="4.21884"
                           yFract="0.49986256"
                           z3="8.52469"
                           zFract="0.38364941"/>
                     <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="6.29154"
                           xFract="0.74544313"
                           y3="6.39951"
                           yFract="0.75823578"
                           z3="4.25679"
                           zFract="0.19157471"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3317"
                           xFract="0.75020142"
                           y3="6.38784"
                           yFract="0.75685308"
                           z3="8.48393"
                           zFract="0.38181503"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" 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="6.35066"
                           xFract="0.75244787"
                           y3="-0.00612"
                           yFract="-0.00072512"
                           z3="8.44382"
                           zFract="0.3800099"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.02107"
                           xFract="-0.00249645"
                           y3="4.22006"
                           yFract="0.50000711"
                           z3="6.35341"
                           zFract="0.28593204"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34058"
                           xFract="0.75125355"
                           y3="2.14271"
                           yFract="0.25387559"
                           z3="6.37819"
                           zFract="0.28704725"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10781"
                           xFract="0.24974052"
                           y3="0.01209"
                           yFract="0.00143246"
                           z3="8.53207"
                           zFract="0.38398155"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21117"
                           xFract="0.49895379"
                           y3="6.33295"
                           yFract="0.75034953"
                           z3="4.26194"
                           zFract="0.19180648"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.01419"
                           xFract="0.00168128"
                           y3="2.12568"
                           yFract="0.25185782"
                           z3="8.43825"
                           zFract="0.37975923"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32847"
                           xFract="0.74981872"
                           y3="0.02165"
                           yFract="0.00256517"
                           z3="4.21316"
                           zFract="0.18961116"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33823"
                           xFract="0.75097512"
                           y3="6.29648"
                           yFract="0.74602844"
                           z3="6.37642"
                           zFract="0.2869676"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22611"
                           xFract="0.50072393"
                           y3="2.11999"
                           yFract="0.25118365"
                           z3="8.45199"
                           zFract="0.38037759"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00383"
                           xFract="-0.00045379"
                           y3="6.32828"
                           yFract="0.74979621"
                           z3="8.49526"
                           zFract="0.38232493"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.23044"
                           xFract="0.50123697"
                           y3="6.33164"
                           yFract="0.75019431"
                           z3="8.48316"
                           zFract="0.38178038"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1169"
                           xFract="0.25081754"
                           y3="2.14728"
                           yFract="0.25441706"
                           z3="6.3873"
                           zFract="0.28745725"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.31956"
                           xFract="0.74876303"
                           y3="4.20935"
                           yFract="0.49873815"
                           z3="4.21063"
                           zFract="0.1894973"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.12339"
                           xFract="0.25158649"
                           y3="4.21478"
                           yFract="0.49938152"
                           z3="8.64347"
                           zFract="0.38899505"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.21279"
                           xFract="0.49914573"
                           y3="4.21611"
                           yFract="0.4995391"
                           z3="6.41949"
                           zFract="0.28890594"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.22064"
                           xFract="0.50007583"
                           y3="2.09686"
                           yFract="0.24844313"
                           z3="4.24704"
                           zFract="0.19113591"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32771"
                           xFract="0.74972867"
                           y3="4.23188"
                           yFract="0.50140758"
                           z3="8.58034"
                           zFract="0.38615392"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12265"
                           xFract="0.25149882"
                           y3="0.00213"
                           yFract="0.00025237"
                           z3="4.26396"
                           zFract="0.19189739"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0100"
                           xFract="0.00118483"
                           y3="2.10288"
                           yFract="0.2491564"
                           z3="4.24737"
                           zFract="0.19115077"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.21666"
                           xFract="0.49960427"
                           y3="0.01543"
                           yFract="0.0018282"
                           z3="6.40344"
                           zFract="0.28818362"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.01155"
                           xFract="-0.00136848"
                           y3="6.33108"
                           yFract="0.75012796"
                           z3="4.26684"
                           zFract="0.192027"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11101"
                           xFract="0.25011967"
                           y3="4.21364"
                           yFract="0.49924645"
                           z3="4.23355"
                           zFract="0.1905288"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.11023"
                           xFract="0.25002725"
                           y3="6.29342"
                           yFract="0.74566588"
                           z3="6.45073"
                           zFract="0.29031188"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.02308"
                           xFract="0.0027346"
                           y3="0.01227"
                           yFract="0.00145379"
                           z3="6.40988"
                           zFract="0.28847345"/>
                     <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="-0.17526"
                           xFract="-0.0207654"
                           y3="2.11706"
                           yFract="0.25083649"
                           z3="6.38022"
                           zFract="0.28713861"/>
                     <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="2.10269"
                           xFract="0.24913389"
                           y3="0.06797"
                           yFract="0.00805332"
                           z3="6.45583"
                           zFract="0.2905414"/>
                     <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="-0.00673"
                           xFract="-0.00079739"
                           y3="-0.02614"
                           yFract="-0.00309716"
                           z3="4.14358"
                           zFract="0.18647975"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00483"
                           xFract="0.00057227"
                           y3="0.01884"
                           yFract="0.00223223"
                           z3="8.58282"
                           zFract="0.38626553"/>
                     <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="2.10176"
                           xFract="0.2490237"
                           y3="2.06502"
                           yFract="0.24467062"
                           z3="4.24539"
                           zFract="0.19106166"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12016"
                           xFract="0.25120379"
                           y3="2.1058"
                           yFract="0.24950237"
                           z3="8.48854"
                           zFract="0.3820225"/>
                     <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="4.40178"
                           xFract="0.52153791"
                           y3="2.18711"
                           yFract="0.25913626"
                           z3="6.39468"
                           zFract="0.28778938"/>
                     <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="6.35154"
                           xFract="0.75255213"
                           y3="-0.00554"
                           yFract="-0.0006564"
                           z3="6.3616"
                           zFract="0.28630063"/>
                     <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="4.23953"
                           xFract="0.50231398"
                           y3="-0.03106"
                           yFract="-0.00368009"
                           z3="4.29834"
                           zFract="0.19344464"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23029"
                           xFract="0.50121919"
                           y3="0.01347"
                           yFract="0.00159597"
                           z3="8.52816"
                           zFract="0.38380558"/>
                     <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="6.34961"
                           xFract="0.75232346"
                           y3="2.06304"
                           yFract="0.24443602"
                           z3="4.27188"
                           zFract="0.19225383"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33891"
                           xFract="0.75105569"
                           y3="2.05143"
                           yFract="0.24306043"
                           z3="8.40078"
                           zFract="0.37807291"/>
                     <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="-0.00792"
                           xFract="-0.00093839"
                           y3="6.33788"
                           yFract="0.75093365"
                           z3="6.41203"
                           zFract="0.28857021"/>
                     <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="1.90523"
                           xFract="0.22573815"
                           y3="4.16732"
                           yFract="0.49375829"
                           z3="6.30311"
                           zFract="0.28366832"/>
                     <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="0.01165"
                           xFract="0.00138033"
                           y3="4.24919"
                           yFract="0.50345853"
                           z3="4.32017"
                           zFract="0.19442709"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.04592"
                           xFract="-0.00544076"
                           y3="4.21557"
                           yFract="0.49947512"
                           z3="8.45888"
                           zFract="0.38068767"/>
                     <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="2.13387"
                           xFract="0.2528282"
                           y3="6.37809"
                           yFract="0.75569787"
                           z3="4.24266"
                           zFract="0.19093879"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11499"
                           xFract="0.25059123"
                           y3="6.35164"
                           yFract="0.75256398"
                           z3="8.57405"
                           zFract="0.38587084"/>
                     <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="4.23485"
                           xFract="0.50175948"
                           y3="6.2805"
                           yFract="0.74413507"
                           z3="6.38767"
                           zFract="0.2874739"/>
                     <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="6.49352"
                           xFract="0.76937441"
                           y3="4.21575"
                           yFract="0.49949645"
                           z3="6.23644"
                           zFract="0.28066787"/>
                     <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="4.18715"
                           xFract="0.49610782"
                           y3="4.25431"
                           yFract="0.50406517"
                           z3="4.29605"
                           zFract="0.19334158"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26518"
                           xFract="0.50535308"
                           y3="4.21946"
                           yFract="0.49993602"
                           z3="8.52693"
                           zFract="0.38375023"/>
                     <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="6.29195"
                           xFract="0.74549171"
                           y3="6.39969"
                           yFract="0.75825711"
                           z3="4.25742"
                           zFract="0.19160306"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33152"
                           xFract="0.75018009"
                           y3="6.3886"
                           yFract="0.75694313"
                           z3="8.48562"
                           zFract="0.38189109"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" 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="6.34909"
                           xFract="0.75226185"
                           y3="-0.00501"
                           yFract="-0.0005936"
                           z3="8.44435"
                           zFract="0.38003375"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.02026"
                           xFract="-0.00240047"
                           y3="4.21965"
                           yFract="0.49995853"
                           z3="6.35728"
                           zFract="0.28610621"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33889"
                           xFract="0.75105332"
                           y3="2.14236"
                           yFract="0.25383412"
                           z3="6.38187"
                           zFract="0.28721287"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10864"
                           xFract="0.24983886"
                           y3="0.01168"
                           yFract="0.00138389"
                           z3="8.53298"
                           zFract="0.3840225"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2114"
                           xFract="0.49898104"
                           y3="6.3335"
                           yFract="0.75041469"
                           z3="4.26167"
                           zFract="0.19179433"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.01267"
                           xFract="0.00150118"
                           y3="2.1252"
                           yFract="0.25180095"
                           z3="8.44064"
                           zFract="0.37986679"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32878"
                           xFract="0.74985545"
                           y3="0.02148"
                           yFract="0.00254502"
                           z3="4.2132"
                           zFract="0.18961296"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33778"
                           xFract="0.7509218"
                           y3="6.29688"
                           yFract="0.74607583"
                           z3="6.37741"
                           zFract="0.28701215"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22585"
                           xFract="0.50069313"
                           y3="2.12029"
                           yFract="0.25121919"
                           z3="8.45356"
                           zFract="0.38044824"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00163"
                           xFract="-0.00019313"
                           y3="6.32887"
                           yFract="0.74986611"
                           z3="8.4965"
                           zFract="0.38238074"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22942"
                           xFract="0.50111611"
                           y3="6.33256"
                           yFract="0.75030332"
                           z3="8.48485"
                           zFract="0.38185644"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.11644"
                           xFract="0.25076303"
                           y3="2.14977"
                           yFract="0.25471209"
                           z3="6.39048"
                           zFract="0.28760036"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3213"
                           xFract="0.74896919"
                           y3="4.20913"
                           yFract="0.49871209"
                           z3="4.21167"
                           zFract="0.1895441"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.12485"
                           xFract="0.25175948"
                           y3="4.21617"
                           yFract="0.49954621"
                           z3="8.64541"
                           zFract="0.38908236"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.21378"
                           xFract="0.49926303"
                           y3="4.21677"
                           yFract="0.4996173"
                           z3="6.42066"
                           zFract="0.2889586"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.21941"
                           xFract="0.49993009"
                           y3="2.09753"
                           yFract="0.24852251"
                           z3="4.24766"
                           zFract="0.19116382"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32837"
                           xFract="0.74980687"
                           y3="4.23202"
                           yFract="0.50142417"
                           z3="8.58161"
                           zFract="0.38621107"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12161"
                           xFract="0.25137559"
                           y3="0.0024"
                           yFract="0.00028436"
                           z3="4.2636"
                           zFract="0.19188119"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00959"
                           xFract="0.00113626"
                           y3="2.10303"
                           yFract="0.24917417"
                           z3="4.24801"
                           zFract="0.19117957"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.21574"
                           xFract="0.49949526"
                           y3="0.01621"
                           yFract="0.00192062"
                           z3="6.40328"
                           zFract="0.28817642"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.01128"
                           xFract="-0.00133649"
                           y3="6.3317"
                           yFract="0.75020142"
                           z3="4.26707"
                           zFract="0.19203735"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11183"
                           xFract="0.25021682"
                           y3="4.21304"
                           yFract="0.49917536"
                           z3="4.23336"
                           zFract="0.19052025"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1121"
                           xFract="0.25024882"
                           y3="6.29211"
                           yFract="0.74551066"
                           z3="6.4523"
                           zFract="0.29038254"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.02293"
                           xFract="0.00271682"
                           y3="0.0130"
                           yFract="0.00154028"
                           z3="6.41184"
                           zFract="0.28856166"/>
                     <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="-0.17407"
                           xFract="-0.02062441"
                           y3="2.11551"
                           yFract="0.25065284"
                           z3="6.38162"
                           zFract="0.28720162"/>
                     <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="2.10259"
                           xFract="0.24912204"
                           y3="0.06916"
                           yFract="0.00819431"
                           z3="6.45757"
                           zFract="0.29061971"/>
                     <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="-0.0067"
                           xFract="-0.00079384"
                           y3="-0.02687"
                           yFract="-0.00318365"
                           z3="4.1422"
                           zFract="0.18641764"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00489"
                           xFract="0.00057938"
                           y3="0.01843"
                           yFract="0.00218365"
                           z3="8.58577"
                           zFract="0.38639829"/>
                     <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="2.1009"
                           xFract="0.2489218"
                           y3="2.06454"
                           yFract="0.24461374"
                           z3="4.24599"
                           zFract="0.19108866"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11972"
                           xFract="0.25115166"
                           y3="2.10673"
                           yFract="0.24961256"
                           z3="8.49186"
                           zFract="0.38217192"/>
                     <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="4.40333"
                           xFract="0.52172156"
                           y3="2.18778"
                           yFract="0.25921564"
                           z3="6.3964"
                           zFract="0.28786679"/>
                     <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="6.3514"
                           xFract="0.75253555"
                           y3="-0.00703"
                           yFract="-0.00083294"
                           z3="6.36215"
                           zFract="0.28632538"/>
                     <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="4.23886"
                           xFract="0.5022346"
                           y3="-0.0313"
                           yFract="-0.00370853"
                           z3="4.29861"
                           zFract="0.1934568"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22944"
                           xFract="0.50111848"
                           y3="0.01415"
                           yFract="0.00167654"
                           z3="8.53001"
                           zFract="0.38388884"/>
                     <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="6.34909"
                           xFract="0.75226185"
                           y3="2.06226"
                           yFract="0.2443436"
                           z3="4.27161"
                           zFract="0.19224167"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33798"
                           xFract="0.7509455"
                           y3="2.05101"
                           yFract="0.24301066"
                           z3="8.40296"
                           zFract="0.37817102"/>
                     <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="-0.00765"
                           xFract="-0.0009064"
                           y3="6.34105"
                           yFract="0.75130924"
                           z3="6.41272"
                           zFract="0.28860126"/>
                     <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="1.90604"
                           xFract="0.22583412"
                           y3="4.16705"
                           yFract="0.4937263"
                           z3="6.30494"
                           zFract="0.28375068"/>
                     <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="0.01292"
                           xFract="0.00153081"
                           y3="4.24868"
                           yFract="0.5033981"
                           z3="4.32731"
                           zFract="0.19474842"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0456"
                           xFract="-0.00540284"
                           y3="4.21673"
                           yFract="0.49961256"
                           z3="8.45652"
                           zFract="0.38058146"/>
                     <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="2.13288"
                           xFract="0.2527109"
                           y3="6.37898"
                           yFract="0.75580332"
                           z3="4.24342"
                           zFract="0.190973"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11548"
                           xFract="0.25064929"
                           y3="6.35178"
                           yFract="0.75258057"
                           z3="8.57408"
                           zFract="0.38587219"/>
                     <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="4.23531"
                           xFract="0.50181398"
                           y3="6.27954"
                           yFract="0.74402133"
                           z3="6.38833"
                           zFract="0.2875036"/>
                     <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="6.49389"
                           xFract="0.76941825"
                           y3="4.21536"
                           yFract="0.49945024"
                           z3="6.23796"
                           zFract="0.28073627"/>
                     <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="4.18867"
                           xFract="0.49628791"
                           y3="4.25506"
                           yFract="0.50415403"
                           z3="4.2973"
                           zFract="0.19339784"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26625"
                           xFract="0.50547986"
                           y3="4.21934"
                           yFract="0.4999218"
                           z3="8.52798"
                           zFract="0.38379748"/>
                     <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="6.29314"
                           xFract="0.7456327"
                           y3="6.4000"
                           yFract="0.75829384"
                           z3="4.25811"
                           zFract="0.19163411"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33223"
                           xFract="0.75026422"
                           y3="6.38913"
                           yFract="0.75700592"
                           z3="8.48825"
                           zFract="0.38200945"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" 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="6.3470"
                           xFract="0.75201422"
                           y3="-0.00354"
                           yFract="-0.00041943"
                           z3="8.44505"
                           zFract="0.38006526"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.01919"
                           xFract="-0.0022737"
                           y3="4.21911"
                           yFract="0.49989455"
                           z3="6.36242"
                           zFract="0.28633753"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33665"
                           xFract="0.75078791"
                           y3="2.1419"
                           yFract="0.25377962"
                           z3="6.38675"
                           zFract="0.28743249"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10975"
                           xFract="0.24997038"
                           y3="0.01114"
                           yFract="0.00131991"
                           z3="8.53418"
                           zFract="0.38407651"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21171"
                           xFract="0.49901777"
                           y3="6.33423"
                           yFract="0.75050118"
                           z3="4.26132"
                           zFract="0.19177858"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.01067"
                           xFract="0.00126422"
                           y3="2.12457"
                           yFract="0.2517263"
                           z3="8.44381"
                           zFract="0.38000945"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3292"
                           xFract="0.74990521"
                           y3="0.02125"
                           yFract="0.00251777"
                           z3="4.21324"
                           zFract="0.18961476"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33718"
                           xFract="0.75085071"
                           y3="6.29741"
                           yFract="0.74613863"
                           z3="6.37873"
                           zFract="0.28707156"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22551"
                           xFract="0.50065284"
                           y3="2.12068"
                           yFract="0.2512654"
                           z3="8.45564"
                           zFract="0.38054185"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00129"
                           xFract="0.00015284"
                           y3="6.32966"
                           yFract="0.74995972"
                           z3="8.49814"
                           zFract="0.38245455"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22807"
                           xFract="0.50095616"
                           y3="6.33379"
                           yFract="0.75044905"
                           z3="8.48709"
                           zFract="0.38195725"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.11584"
                           xFract="0.25069194"
                           y3="2.15307"
                           yFract="0.25510308"
                           z3="6.3947"
                           zFract="0.28779028"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.32362"
                           xFract="0.74924408"
                           y3="4.20884"
                           yFract="0.49867773"
                           z3="4.21306"
                           zFract="0.18960666"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.12679"
                           xFract="0.25198934"
                           y3="4.21803"
                           yFract="0.49976659"
                           z3="8.64798"
                           zFract="0.38919802"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.21509"
                           xFract="0.49941825"
                           y3="4.21764"
                           yFract="0.49972038"
                           z3="6.42221"
                           zFract="0.28902835"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.21778"
                           xFract="0.49973697"
                           y3="2.09843"
                           yFract="0.24862915"
                           z3="4.24849"
                           zFract="0.19120117"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32924"
                           xFract="0.74990995"
                           y3="4.23219"
                           yFract="0.50144431"
                           z3="8.58329"
                           zFract="0.38628668"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12022"
                           xFract="0.2512109"
                           y3="0.00277"
                           yFract="0.0003282"
                           z3="4.26312"
                           zFract="0.19185959"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00906"
                           xFract="0.00107346"
                           y3="2.10324"
                           yFract="0.24919905"
                           z3="4.24887"
                           zFract="0.19121827"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.21453"
                           xFract="0.4993519"
                           y3="0.01725"
                           yFract="0.00204384"
                           z3="6.40306"
                           zFract="0.28816652"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.01093"
                           xFract="-0.00129502"
                           y3="6.33253"
                           yFract="0.75029976"
                           z3="4.26737"
                           zFract="0.19205086"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.11292"
                           xFract="0.25034597"
                           y3="4.21226"
                           yFract="0.49908294"
                           z3="4.23311"
                           zFract="0.190509"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1146"
                           xFract="0.25054502"
                           y3="6.29037"
                           yFract="0.7453045"
                           z3="6.4544"
                           zFract="0.29047705"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.02273"
                           xFract="0.00269313"
                           y3="0.01397"
                           yFract="0.00165521"
                           z3="6.41444"
                           zFract="0.28867867"/>
                     <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="-0.17249"
                           xFract="-0.0204372"
                           y3="2.11344"
                           yFract="0.25040758"
                           z3="6.38349"
                           zFract="0.28728578"/>
                     <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="2.10246"
                           xFract="0.24910664"
                           y3="0.07074"
                           yFract="0.00838152"
                           z3="6.45988"
                           zFract="0.29072367"/>
                     <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="-0.00666"
                           xFract="-0.0007891"
                           y3="-0.02784"
                           yFract="-0.00329858"
                           z3="4.14038"
                           zFract="0.18633573"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00497"
                           xFract="0.00058886"
                           y3="0.01789"
                           yFract="0.00211967"
                           z3="8.58968"
                           zFract="0.38657426"/>
                     <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="2.09974"
                           xFract="0.24878436"
                           y3="2.0639"
                           yFract="0.24453791"
                           z3="4.24679"
                           zFract="0.19112466"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11912"
                           xFract="0.25108057"
                           y3="2.10797"
                           yFract="0.24975948"
                           z3="8.49627"
                           zFract="0.38237039"/>
                     <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="4.4054"
                           xFract="0.52196682"
                           y3="2.18868"
                           yFract="0.25932227"
                           z3="6.39869"
                           zFract="0.28796985"/>
                     <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="6.35121"
                           xFract="0.75251303"
                           y3="-0.00901"
                           yFract="-0.00106754"
                           z3="6.36289"
                           zFract="0.28635869"/>
                     <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="4.23797"
                           xFract="0.50212915"
                           y3="-0.03162"
                           yFract="-0.00374645"
                           z3="4.29895"
                           zFract="0.1934721"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22832"
                           xFract="0.50098578"
                           y3="0.01506"
                           yFract="0.00178436"
                           z3="8.53246"
                           zFract="0.3839991"/>
                     <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="6.34841"
                           xFract="0.75218128"
                           y3="2.06124"
                           yFract="0.24422275"
                           z3="4.27125"
                           zFract="0.19222547"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33674"
                           xFract="0.75079858"
                           y3="2.05046"
                           yFract="0.2429455"
                           z3="8.40586"
                           zFract="0.37830153"/>
                     <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="-0.00728"
                           xFract="-0.00086256"
                           y3="6.34526"
                           yFract="0.75180806"
                           z3="6.41365"
                           zFract="0.28864311"/>
                     <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="1.9071"
                           xFract="0.22595972"
                           y3="4.16668"
                           yFract="0.49368246"
                           z3="6.30737"
                           zFract="0.28386004"/>
                     <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="0.01461"
                           xFract="0.00173104"
                           y3="4.2480"
                           yFract="0.50331754"
                           z3="4.3368"
                           zFract="0.19517552"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.04519"
                           xFract="-0.00535427"
                           y3="4.21827"
                           yFract="0.49979502"
                           z3="8.45338"
                           zFract="0.38044014"/>
                     <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="2.13156"
                           xFract="0.2525545"
                           y3="6.38017"
                           yFract="0.75594431"
                           z3="4.24443"
                           zFract="0.19101845"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11615"
                           xFract="0.25072867"
                           y3="6.35197"
                           yFract="0.75260308"
                           z3="8.57413"
                           zFract="0.38587444"/>
                     <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="4.23593"
                           xFract="0.50188744"
                           y3="6.27827"
                           yFract="0.74387085"
                           z3="6.38921"
                           zFract="0.2875432"/>
                     <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="6.49438"
                           xFract="0.7694763"
                           y3="4.21485"
                           yFract="0.49938981"
                           z3="6.23998"
                           zFract="0.28082718"/>
                     <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="4.19068"
                           xFract="0.49652607"
                           y3="4.25606"
                           yFract="0.50427251"
                           z3="4.29897"
                           zFract="0.193473"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26767"
                           xFract="0.5056481"
                           y3="4.21919"
                           yFract="0.49990403"
                           z3="8.52937"
                           zFract="0.38386004"/>
                     <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="6.29473"
                           xFract="0.74582109"
                           y3="6.40041"
                           yFract="0.75834242"
                           z3="4.25903"
                           zFract="0.19167552"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33317"
                           xFract="0.75037559"
                           y3="6.38983"
                           yFract="0.75708886"
                           z3="8.49174"
                           zFract="0.38216652"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" 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.24">
                  <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="6.3458"
                           xFract="0.75187204"
                           y3="-0.00518"
                           yFract="-0.00061374"
                           z3="8.44607"
                           zFract="0.38011116"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.01824"
                           xFract="-0.00216114"
                           y3="4.22078"
                           yFract="0.50009242"
                           z3="6.36493"
                           zFract="0.2864505"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33947"
                           xFract="0.75112204"
                           y3="2.14145"
                           yFract="0.2537263"
                           z3="6.38716"
                           zFract="0.28745095"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10932"
                           xFract="0.24991943"
                           y3="0.01192"
                           yFract="0.00141232"
                           z3="8.53482"
                           zFract="0.38410531"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21259"
                           xFract="0.49912204"
                           y3="6.33455"
                           yFract="0.7505391"
                           z3="4.26071"
                           zFract="0.19175113"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.01022"
                           xFract="0.0012109"
                           y3="2.12376"
                           yFract="0.25163033"
                           z3="8.44642"
                           zFract="0.38012691"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.32905"
                           xFract="0.74988744"
                           y3="0.0212"
                           yFract="0.00251185"
                           z3="4.21332"
                           zFract="0.18961836"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33826"
                           xFract="0.75097867"
                           y3="6.29807"
                           yFract="0.74621682"
                           z3="6.38033"
                           zFract="0.28714356"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22414"
                           xFract="0.50049052"
                           y3="2.12163"
                           yFract="0.25137796"
                           z3="8.45782"
                           zFract="0.38063996"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00274"
                           xFract="0.00032464"
                           y3="6.33158"
                           yFract="0.7501872"
                           z3="8.49791"
                           zFract="0.38244419"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22879"
                           xFract="0.50104147"
                           y3="6.33413"
                           yFract="0.75048934"
                           z3="8.48893"
                           zFract="0.38204005"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.11618"
                           xFract="0.25073223"
                           y3="2.15469"
                           yFract="0.25529502"
                           z3="6.39856"
                           zFract="0.287964"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.32561"
                           xFract="0.74947986"
                           y3="4.20777"
                           yFract="0.49855095"
                           z3="4.21454"
                           zFract="0.18967327"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.12858"
                           xFract="0.25220142"
                           y3="4.21895"
                           yFract="0.49987559"
                           z3="8.64953"
                           zFract="0.38926778"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.21633"
                           xFract="0.49956517"
                           y3="4.21778"
                           yFract="0.49973697"
                           z3="6.42332"
                           zFract="0.28907831"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.21728"
                           xFract="0.49967773"
                           y3="2.09912"
                           yFract="0.2487109"
                           z3="4.24962"
                           zFract="0.19125203"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32943"
                           xFract="0.74993246"
                           y3="4.23389"
                           yFract="0.50164573"
                           z3="8.58371"
                           zFract="0.38630558"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11909"
                           xFract="0.25107701"
                           y3="0.00309"
                           yFract="0.00036611"
                           z3="4.26359"
                           zFract="0.19188074"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00764"
                           xFract="0.00090521"
                           y3="2.10383"
                           yFract="0.24926896"
                           z3="4.25004"
                           zFract="0.19127093"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.21263"
                           xFract="0.49912678"
                           y3="0.0190"
                           yFract="0.00225118"
                           z3="6.40129"
                           zFract="0.28808686"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.01015"
                           xFract="-0.00120261"
                           y3="6.33183"
                           yFract="0.75021682"
                           z3="4.26874"
                           zFract="0.19211251"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1136"
                           xFract="0.25042654"
                           y3="4.21188"
                           yFract="0.49903791"
                           z3="4.23423"
                           zFract="0.19055941"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.11576"
                           xFract="0.25068246"
                           y3="6.28889"
                           yFract="0.74512915"
                           z3="6.45447"
                           zFract="0.2904802"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.02286"
                           xFract="0.00270853"
                           y3="0.01471"
                           yFract="0.00174289"
                           z3="6.41615"
                           zFract="0.28875563"/>
                     <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="-0.17271"
                           xFract="-0.02046327"
                           y3="2.11241"
                           yFract="0.25028555"
                           z3="6.38672"
                           zFract="0.28743114"/>
                     <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="2.10238"
                           xFract="0.24909716"
                           y3="0.07116"
                           yFract="0.00843128"
                           z3="6.46165"
                           zFract="0.29080333"/>
                     <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="-0.00653"
                           xFract="-0.0007737"
                           y3="-0.0275"
                           yFract="-0.00325829"
                           z3="4.13713"
                           zFract="0.18618947"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00469"
                           xFract="0.00055569"
                           y3="0.01818"
                           yFract="0.00215403"
                           z3="8.59209"
                           zFract="0.38668272"/>
                     <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="2.09899"
                           xFract="0.2486955"
                           y3="2.06487"
                           yFract="0.24465284"
                           z3="4.2484"
                           zFract="0.19119712"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11867"
                           xFract="0.25102725"
                           y3="2.10895"
                           yFract="0.24987559"
                           z3="8.5000"
                           zFract="0.38253825"/>
                     <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="4.40534"
                           xFract="0.52195972"
                           y3="2.18821"
                           yFract="0.25926659"
                           z3="6.40132"
                           zFract="0.28808821"/>
                     <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="6.35044"
                           xFract="0.7524218"
                           y3="-0.00936"
                           yFract="-0.001109"
                           z3="6.36325"
                           zFract="0.28637489"/>
                     <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="4.23663"
                           xFract="0.50197038"
                           y3="-0.03185"
                           yFract="-0.0037737"
                           z3="4.29971"
                           zFract="0.1935063"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22709"
                           xFract="0.50084005"
                           y3="0.01553"
                           yFract="0.00184005"
                           z3="8.53326"
                           zFract="0.3840351"/>
                     <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="6.34753"
                           xFract="0.75207701"
                           y3="2.0606"
                           yFract="0.24414692"
                           z3="4.27128"
                           zFract="0.19222682"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33578"
                           xFract="0.75068483"
                           y3="2.05032"
                           yFract="0.24292891"
                           z3="8.40999"
                           zFract="0.3784874"/>
                     <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="-0.00647"
                           xFract="-0.00076659"
                           y3="6.34694"
                           yFract="0.75200711"
                           z3="6.41379"
                           zFract="0.28864941"/>
                     <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="1.9084"
                           xFract="0.22611374"
                           y3="4.16887"
                           yFract="0.49394194"
                           z3="6.31041"
                           zFract="0.28399685"/>
                     <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="0.01636"
                           xFract="0.00193839"
                           y3="4.2475"
                           yFract="0.50325829"
                           z3="4.3462"
                           zFract="0.19559856"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.04456"
                           xFract="-0.00527962"
                           y3="4.21923"
                           yFract="0.49990877"
                           z3="8.45151"
                           zFract="0.38035599"/>
                     <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="2.1321"
                           xFract="0.25261848"
                           y3="6.38042"
                           yFract="0.75597393"
                           z3="4.24416"
                           zFract="0.1910063"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11743"
                           xFract="0.25088033"
                           y3="6.35204"
                           yFract="0.75261137"
                           z3="8.5748"
                           zFract="0.38590459"/>
                     <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="4.23656"
                           xFract="0.50196209"
                           y3="6.27851"
                           yFract="0.74389929"
                           z3="6.38926"
                           zFract="0.28754545"/>
                     <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="6.49449"
                           xFract="0.76948934"
                           y3="4.21389"
                           yFract="0.49927607"
                           z3="6.24385"
                           zFract="0.28100135"/>
                     <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="4.19246"
                           xFract="0.49673697"
                           y3="4.25708"
                           yFract="0.50439336"
                           z3="4.30136"
                           zFract="0.19358056"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26792"
                           xFract="0.50567773"
                           y3="4.21929"
                           yFract="0.49991588"
                           z3="8.52952"
                           zFract="0.38386679"/>
                     <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="6.29503"
                           xFract="0.74585664"
                           y3="6.40017"
                           yFract="0.75831398"
                           z3="4.25907"
                           zFract="0.19167732"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33349"
                           xFract="0.75041351"
                           y3="6.39017"
                           yFract="0.75712915"
                           z3="8.49374"
                           zFract="0.38225653"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a54" order="S"/>
                     <bond atomRefs2="a1 a57" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a51" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a67" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a42" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a7 a68" order="S"/>
                     <bond atomRefs2="a7 a63" order="S"/>
                     <bond atomRefs2="a7 a61" order="S"/>
                     <bond atomRefs2="a7 a71" order="S"/>
                     <bond atomRefs2="a8 a71" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a41" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a79" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a42" order="S"/>
                     <bond atomRefs2="a13 a47" order="S"/>
                     <bond atomRefs2="a13 a40" order="S"/>
                     <bond atomRefs2="a13 a50" order="S"/>
                     <bond atomRefs2="a13 a67" order="S"/>
                     <bond atomRefs2="a14 a49" order="S"/>
                     <bond atomRefs2="a14 a48" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a54" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a31" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a39" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a50" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a70" order="S"/>
                     <bond atomRefs2="a23 a50" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a24 a55" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a77" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a28 a77" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a29 a46" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a49" order="S"/>
                     <bond atomRefs2="a30 a41" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a51" order="S"/>
                     <bond atomRefs2="a32 a55" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a34 a41" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a63" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a48" order="S"/>
                     <bond atomRefs2="a35 a75" order="S"/>
                     <bond atomRefs2="a36 a48" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a45" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a71" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a69" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a72" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" 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">0.016 0.006 0.008 0.003 0.001 0.010 0.004 0.010 -0.001 0.011 -0.001 0.000 -0.000 0.003 -0.001 -0.000 0.002 0.000 -0.000 0.000 0.003 -0.002 0.012 0.002 0.003 0.004 -0.000 0.003 -0.003 -0.001 -0.001 0.005 -0.002 0.005 -0.003 -0.003 0.001 -0.003 0.000 0.005 0.008 0.009 0.006 0.002 0.007 0.008 0.008 0.001 0.004 0.000 0.005 0.001 0.011 0.011 0.003 0.004 0.008 0.005 0.012 0.005 0.016 0.005 0.004 -0.000 0.004 0.006 0.003 0.012 0.006 0.002 0.014 -0.002 0.011 0.010 0.004 0.002 -0.001 0.012 0.006 0.001</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="80">0.014 0.008 0.011 -0.002 0.002 0.015 0.005 0.015 -0.006 0.017 -0.001 0.003 0.001 0.005 0.004 0.000 0.004 0.001 -0.000 0.000 0.002 -0.002 0.006 0.002 0.003 0.004 0.000 0.005 -0.001 -0.001 -0.005 0.009 0.003 0.009 -0.001 -0.001 -0.006 0.006 -0.001 0.007 0.098 0.085 0.049 0.083 0.079 0.136 0.066 0.023 0.115 -0.067 0.059 -0.043 0.085 0.169 0.009 0.063 0.045 0.092 0.194 0.066 0.208 0.057 0.027 -0.033 0.035 0.087 0.024 0.164 0.127 0.003 0.164 -0.051 0.111 0.211 0.044 0.028 -0.094 0.164 0.114 0.018</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="80">1.265 1.513 1.547 0.918 0.941 1.446 1.534 1.468 0.978 1.222 -0.000 0.002 0.000 0.002 0.002 0.000 0.001 0.000 -0.000 0.000 -0.445 0.561 -0.152 -0.403 -0.456 -0.313 0.519 -0.028 0.536 0.517 -0.012 0.009 0.016 0.009 0.001 0.000 -0.019 0.024 -0.004 0.009 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">1.295 1.528 1.567 0.920 0.944 1.471 1.543 1.493 0.972 1.251 -0.002 0.004 0.001 0.010 0.006 -0.000 0.007 0.002 -0.001 0.000 -0.441 0.557 -0.134 -0.398 -0.450 -0.306 0.519 -0.019 0.533 0.515 -0.017 0.023 0.018 0.022 -0.003 -0.003 -0.023 0.026 -0.005 0.022 0.106 0.094 0.055 0.084 0.085 0.145 0.075 0.024 0.118 -0.067 0.065 -0.042 0.096 0.180 0.012 0.067 0.053 0.097 0.205 0.070 0.224 0.062 0.031 -0.033 0.038 0.093 0.027 0.177 0.133 0.005 0.178 -0.053 0.123 0.221 0.048 0.030 -0.095 0.176 0.120 0.019</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.332</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">2.947</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">13.209</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">16.488</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-422.06836899</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-422.05592751</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-422.06214825</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.6392</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1199797E-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="6.3458"
                        xFract="0.75187204"
                        y3="-0.00518"
                        yFract="-0.00061374"
                        z3="8.44607"
                        zFract="0.38011116"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="-0.01824"
                        xFract="-0.00216114"
                        y3="4.22078"
                        yFract="0.50009242"
                        z3="6.36493"
                        zFract="0.2864505"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.33947"
                        xFract="0.75112204"
                        y3="2.14145"
                        yFract="0.2537263"
                        z3="6.38716"
                        zFract="0.28745095"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="2.10932"
                        xFract="0.24991943"
                        y3="0.01192"
                        yFract="0.00141232"
                        z3="8.53482"
                        zFract="0.38410531"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="4.21259"
                        xFract="0.49912204"
                        y3="6.33455"
                        yFract="0.7505391"
                        z3="4.26071"
                        zFract="0.19175113"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="0.01022"
                        xFract="0.0012109"
                        y3="2.12376"
                        yFract="0.25163033"
                        z3="8.44642"
                        zFract="0.38012691"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="6.32905"
                        xFract="0.74988744"
                        y3="0.0212"
                        yFract="0.00251185"
                        z3="4.21332"
                        zFract="0.18961836"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="6.33826"
                        xFract="0.75097867"
                        y3="6.29807"
                        yFract="0.74621682"
                        z3="6.38033"
                        zFract="0.28714356"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="4.22414"
                        xFract="0.50049052"
                        y3="2.12163"
                        yFract="0.25137796"
                        z3="8.45782"
                        zFract="0.38063996"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="0.00274"
                        xFract="0.00032464"
                        y3="6.33158"
                        yFract="0.7501872"
                        z3="8.49791"
                        zFract="0.38244419"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="4.22879"
                        xFract="0.50104147"
                        y3="6.33413"
                        yFract="0.75048934"
                        z3="8.48893"
                        zFract="0.38204005"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="2.11618"
                        xFract="0.25073223"
                        y3="2.15469"
                        yFract="0.25529502"
                        z3="6.39856"
                        zFract="0.287964"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.32561"
                        xFract="0.74947986"
                        y3="4.20777"
                        yFract="0.49855095"
                        z3="4.21454"
                        zFract="0.18967327"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="2.12858"
                        xFract="0.25220142"
                        y3="4.21895"
                        yFract="0.49987559"
                        z3="8.64953"
                        zFract="0.38926778"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.21633"
                        xFract="0.49956517"
                        y3="4.21778"
                        yFract="0.49973697"
                        z3="6.42332"
                        zFract="0.28907831"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.21728"
                        xFract="0.49967773"
                        y3="2.09912"
                        yFract="0.2487109"
                        z3="4.24962"
                        zFract="0.19125203"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="6.32943"
                        xFract="0.74993246"
                        y3="4.23389"
                        yFract="0.50164573"
                        z3="8.58371"
                        zFract="0.38630558"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.11909"
                        xFract="0.25107701"
                        y3="0.00309"
                        yFract="0.00036611"
                        z3="4.26359"
                        zFract="0.19188074"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.00764"
                        xFract="0.00090521"
                        y3="2.10383"
                        yFract="0.24926896"
                        z3="4.25004"
                        zFract="0.19127093"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="4.21263"
                        xFract="0.49912678"
                        y3="0.0190"
                        yFract="0.00225118"
                        z3="6.40129"
                        zFract="0.28808686"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="-0.01015"
                        xFract="-0.00120261"
                        y3="6.33183"
                        yFract="0.75021682"
                        z3="4.26874"
                        zFract="0.19211251"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.1136"
                        xFract="0.25042654"
                        y3="4.21188"
                        yFract="0.49903791"
                        z3="4.23423"
                        zFract="0.19055941"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.11576"
                        xFract="0.25068246"
                        y3="6.28889"
                        yFract="0.74512915"
                        z3="6.45447"
                        zFract="0.2904802"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="0.02286"
                        xFract="0.00270853"
                        y3="0.01471"
                        yFract="0.00174289"
                        z3="6.41615"
                        zFract="0.28875563"/>
                  <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="-0.17271"
                        xFract="-0.02046327"
                        y3="2.11241"
                        yFract="0.25028555"
                        z3="6.38672"
                        zFract="0.28743114"/>
                  <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="2.10238"
                        xFract="0.24909716"
                        y3="0.07116"
                        yFract="0.00843128"
                        z3="6.46165"
                        zFract="0.29080333"/>
                  <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="-0.00653"
                        xFract="-0.0007737"
                        y3="-0.0275"
                        yFract="-0.00325829"
                        z3="4.13713"
                        zFract="0.18618947"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.00469"
                        xFract="0.00055569"
                        y3="0.01818"
                        yFract="0.00215403"
                        z3="8.59209"
                        zFract="0.38668272"/>
                  <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="2.09899"
                        xFract="0.2486955"
                        y3="2.06487"
                        yFract="0.24465284"
                        z3="4.2484"
                        zFract="0.19119712"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.11867"
                        xFract="0.25102725"
                        y3="2.10895"
                        yFract="0.24987559"
                        z3="8.5000"
                        zFract="0.38253825"/>
                  <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="4.40534"
                        xFract="0.52195972"
                        y3="2.18821"
                        yFract="0.25926659"
                        z3="6.40132"
                        zFract="0.28808821"/>
                  <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="6.35044"
                        xFract="0.7524218"
                        y3="-0.00936"
                        yFract="-0.001109"
                        z3="6.36325"
                        zFract="0.28637489"/>
                  <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="4.23663"
                        xFract="0.50197038"
                        y3="-0.03185"
                        yFract="-0.0037737"
                        z3="4.29971"
                        zFract="0.1935063"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.22709"
                        xFract="0.50084005"
                        y3="0.01553"
                        yFract="0.00184005"
                        z3="8.53326"
                        zFract="0.3840351"/>
                  <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="6.34753"
                        xFract="0.75207701"
                        y3="2.0606"
                        yFract="0.24414692"
                        z3="4.27128"
                        zFract="0.19222682"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.33578"
                        xFract="0.75068483"
                        y3="2.05032"
                        yFract="0.24292891"
                        z3="8.40999"
                        zFract="0.3784874"/>
                  <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="-0.00647"
                        xFract="-0.00076659"
                        y3="6.34694"
                        yFract="0.75200711"
                        z3="6.41379"
                        zFract="0.28864941"/>
                  <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="1.9084"
                        xFract="0.22611374"
                        y3="4.16887"
                        yFract="0.49394194"
                        z3="6.31041"
                        zFract="0.28399685"/>
                  <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="0.01636"
                        xFract="0.00193839"
                        y3="4.2475"
                        yFract="0.50325829"
                        z3="4.3462"
                        zFract="0.19559856"/>
                  <atom elementType="O"
                        id="a67"
                        x3="-0.04456"
                        xFract="-0.00527962"
                        y3="4.21923"
                        yFract="0.49990877"
                        z3="8.45151"
                        zFract="0.38035599"/>
                  <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="2.1321"
                        xFract="0.25261848"
                        y3="6.38042"
                        yFract="0.75597393"
                        z3="4.24416"
                        zFract="0.1910063"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.11743"
                        xFract="0.25088033"
                        y3="6.35204"
                        yFract="0.75261137"
                        z3="8.5748"
                        zFract="0.38590459"/>
                  <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="4.23656"
                        xFract="0.50196209"
                        y3="6.27851"
                        yFract="0.74389929"
                        z3="6.38926"
                        zFract="0.28754545"/>
                  <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="6.49449"
                        xFract="0.76948934"
                        y3="4.21389"
                        yFract="0.49927607"
                        z3="6.24385"
                        zFract="0.28100135"/>
                  <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="4.19246"
                        xFract="0.49673697"
                        y3="4.25708"
                        yFract="0.50439336"
                        z3="4.30136"
                        zFract="0.19358056"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.26792"
                        xFract="0.50567773"
                        y3="4.21929"
                        yFract="0.49991588"
                        z3="8.52952"
                        zFract="0.38386679"/>
                  <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="6.29503"
                        xFract="0.74585664"
                        y3="6.40017"
                        yFract="0.75831398"
                        z3="4.25907"
                        zFract="0.19167732"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.33349"
                        xFract="0.75041351"
                        y3="6.39017"
                        yFract="0.75712915"
                        z3="8.49374"
                        zFract="0.38225653"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a60" order="S"/>
                  <bond atomRefs2="a1 a54" order="S"/>
                  <bond atomRefs2="a1 a57" order="S"/>
                  <bond atomRefs2="a2 a58" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a2 a51" order="S"/>
                  <bond atomRefs2="a2 a73" order="S"/>
                  <bond atomRefs2="a3 a79" order="S"/>
                  <bond atomRefs2="a3 a78" order="S"/>
                  <bond atomRefs2="a3 a73" order="S"/>
                  <bond atomRefs2="a3 a71" order="S"/>
                  <bond atomRefs2="a4 a64" order="S"/>
                  <bond atomRefs2="a4 a67" order="S"/>
                  <bond atomRefs2="a4 a62" order="S"/>
                  <bond atomRefs2="a4 a66" order="S"/>
                  <bond atomRefs2="a4 a42" order="S"/>
                  <bond atomRefs2="a5 a52" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a5 a59" order="S"/>
                  <bond atomRefs2="a5 a54" order="S"/>
                  <bond atomRefs2="a5 a74" order="S"/>
                  <bond atomRefs2="a6 a61" order="S"/>
                  <bond atomRefs2="a6 a65" order="S"/>
                  <bond atomRefs2="a6 a68" order="S"/>
                  <bond atomRefs2="a7 a69" order="S"/>
                  <bond atomRefs2="a7 a68" order="S"/>
                  <bond atomRefs2="a7 a63" order="S"/>
                  <bond atomRefs2="a7 a61" order="S"/>
                  <bond atomRefs2="a7 a71" order="S"/>
                  <bond atomRefs2="a8 a71" order="S"/>
                  <bond atomRefs2="a8 a75" order="S"/>
                  <bond atomRefs2="a8 a78" order="S"/>
                  <bond atomRefs2="a8 a68" order="S"/>
                  <bond atomRefs2="a9 a41" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a9 a45" order="S"/>
                  <bond atomRefs2="a9 a43" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a10 a50" order="S"/>
                  <bond atomRefs2="a10 a47" order="S"/>
                  <bond atomRefs2="a10 a57" order="S"/>
                  <bond atomRefs2="a11 a58" order="S"/>
                  <bond atomRefs2="a11 a53" order="S"/>
                  <bond atomRefs2="a11 a55" order="S"/>
                  <bond atomRefs2="a12 a76" order="S"/>
                  <bond atomRefs2="a12 a79" order="S"/>
                  <bond atomRefs2="a12 a72" order="S"/>
                  <bond atomRefs2="a12 a17" order="S"/>
                  <bond atomRefs2="a12 a71" order="S"/>
                  <bond atomRefs2="a12 a69" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a13 a47" order="S"/>
                  <bond atomRefs2="a13 a40" order="S"/>
                  <bond atomRefs2="a13 a50" order="S"/>
                  <bond atomRefs2="a13 a67" order="S"/>
                  <bond atomRefs2="a14 a49" order="S"/>
                  <bond atomRefs2="a14 a48" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a41" order="S"/>
                  <bond atomRefs2="a14 a63" order="S"/>
                  <bond atomRefs2="a14 a51" order="S"/>
                  <bond atomRefs2="a15 a53" order="S"/>
                  <bond atomRefs2="a15 a56" order="S"/>
                  <bond atomRefs2="a15 a59" order="S"/>
                  <bond atomRefs2="a15 a54" order="S"/>
                  <bond atomRefs2="a16 a78" order="S"/>
                  <bond atomRefs2="a16 a73" order="S"/>
                  <bond atomRefs2="a16 a75" order="S"/>
                  <bond atomRefs2="a16 a58" order="S"/>
                  <bond atomRefs2="a17 a79" order="S"/>
                  <bond atomRefs2="a17 a80" order="S"/>
                  <bond atomRefs2="a17 a74" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a17 a72" order="S"/>
                  <bond atomRefs2="a18 a52" order="S"/>
                  <bond atomRefs2="a18 a60" order="S"/>
                  <bond atomRefs2="a18 a31" order="S"/>
                  <bond atomRefs2="a18 a57" order="S"/>
                  <bond atomRefs2="a18 a77" order="S"/>
                  <bond atomRefs2="a18 a50" order="S"/>
                  <bond atomRefs2="a19 a39" order="S"/>
                  <bond atomRefs2="a19 a70" order="S"/>
                  <bond atomRefs2="a19 a67" order="S"/>
                  <bond atomRefs2="a19 a62" order="S"/>
                  <bond atomRefs2="a20 a77" order="S"/>
                  <bond atomRefs2="a20 a72" order="S"/>
                  <bond atomRefs2="a20 a80" order="S"/>
                  <bond atomRefs2="a20 a39" order="S"/>
                  <bond atomRefs2="a20 a70" order="S"/>
                  <bond atomRefs2="a21 a64" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a21 a50" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a22 a76" order="S"/>
                  <bond atomRefs2="a22 a73" order="S"/>
                  <bond atomRefs2="a22 a74" order="S"/>
                  <bond atomRefs2="a22 a59" order="S"/>
                  <bond atomRefs2="a23 a70" order="S"/>
                  <bond atomRefs2="a23 a50" order="S"/>
                  <bond atomRefs2="a23 a77" order="S"/>
                  <bond atomRefs2="a24 a55" order="S"/>
                  <bond atomRefs2="a24 a51" order="S"/>
                  <bond atomRefs2="a24 a53" order="S"/>
                  <bond atomRefs2="a24 a43" order="S"/>
                  <bond atomRefs2="a25 a76" order="S"/>
                  <bond atomRefs2="a25 a52" order="S"/>
                  <bond atomRefs2="a25 a77" order="S"/>
                  <bond atomRefs2="a25 a72" order="S"/>
                  <bond atomRefs2="a26 a65" order="S"/>
                  <bond atomRefs2="a26 a61" order="S"/>
                  <bond atomRefs2="a26 a63" order="S"/>
                  <bond atomRefs2="a26 a41" order="S"/>
                  <bond atomRefs2="a27 a76" order="S"/>
                  <bond atomRefs2="a27 a52" order="S"/>
                  <bond atomRefs2="a27 a56" order="S"/>
                  <bond atomRefs2="a27 a59" order="S"/>
                  <bond atomRefs2="a27 a51" order="S"/>
                  <bond atomRefs2="a27 a49" order="S"/>
                  <bond atomRefs2="a28 a77" order="S"/>
                  <bond atomRefs2="a28 a80" order="S"/>
                  <bond atomRefs2="a29 a49" order="S"/>
                  <bond atomRefs2="a29 a43" order="S"/>
                  <bond atomRefs2="a29 a46" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a49" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a66" order="S"/>
                  <bond atomRefs2="a31 a52" order="S"/>
                  <bond atomRefs2="a31 a57" order="S"/>
                  <bond atomRefs2="a31 a56" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a51" order="S"/>
                  <bond atomRefs2="a32 a55" order="S"/>
                  <bond atomRefs2="a32 a58" order="S"/>
                  <bond atomRefs2="a32 a75" order="S"/>
                  <bond atomRefs2="a32 a48" order="S"/>
                  <bond atomRefs2="a33 a69" order="S"/>
                  <bond atomRefs2="a33 a62" order="S"/>
                  <bond atomRefs2="a33 a66" order="S"/>
                  <bond atomRefs2="a33 a61" order="S"/>
                  <bond atomRefs2="a34 a41" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a48" order="S"/>
                  <bond atomRefs2="a34 a65" order="S"/>
                  <bond atomRefs2="a35 a68" order="S"/>
                  <bond atomRefs2="a35 a63" order="S"/>
                  <bond atomRefs2="a35 a65" order="S"/>
                  <bond atomRefs2="a35 a48" order="S"/>
                  <bond atomRefs2="a35 a75" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a55" order="S"/>
                  <bond atomRefs2="a37 a76" order="S"/>
                  <bond atomRefs2="a37 a75" order="S"/>
                  <bond atomRefs2="a37 a71" order="S"/>
                  <bond atomRefs2="a37 a73" order="S"/>
                  <bond atomRefs2="a37 a51" order="S"/>
                  <bond atomRefs2="a37 a63" order="S"/>
                  <bond atomRefs2="a38 a76" order="S"/>
                  <bond atomRefs2="a38 a64" order="S"/>
                  <bond atomRefs2="a38 a69" order="S"/>
                  <bond atomRefs2="a38 a63" order="S"/>
                  <bond atomRefs2="a38 a66" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a39 a64" order="S"/>
                  <bond atomRefs2="a39 a69" order="S"/>
                  <bond atomRefs2="a39 a70" order="S"/>
                  <bond atomRefs2="a39 a62" order="S"/>
                  <bond atomRefs2="a39 a72" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a40 a42" order="S"/>
                  <bond atomRefs2="a40 a47" 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>
