<?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">6.3.2</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">27Jun22 (build Feb 11 2023 09:31:23) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2024-02-19T15:00:31.000</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="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a41"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a43"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a51"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a53"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a55"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a58"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a61"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a63"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a65"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a68"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a71"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a73"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a75"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a78"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a60" order="S"/>
                  <bond atomRefs2="a1 a74" order="S"/>
                  <bond atomRefs2="a1 a80" order="S"/>
                  <bond atomRefs2="a1 a77" order="S"/>
                  <bond atomRefs2="a2 a59" order="S"/>
                  <bond atomRefs2="a2 a54" order="S"/>
                  <bond atomRefs2="a2 a56" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a3 a71" order="S"/>
                  <bond atomRefs2="a3 a75" order="S"/>
                  <bond atomRefs2="a3 a78" order="S"/>
                  <bond atomRefs2="a3 a68" order="S"/>
                  <bond atomRefs2="a4 a69" order="S"/>
                  <bond atomRefs2="a4 a62" order="S"/>
                  <bond atomRefs2="a4 a61" order="S"/>
                  <bond atomRefs2="a4 a66" order="S"/>
                  <bond atomRefs2="a5 a78" order="S"/>
                  <bond atomRefs2="a5 a73" order="S"/>
                  <bond atomRefs2="a5 a71" order="S"/>
                  <bond atomRefs2="a5 a79" order="S"/>
                  <bond atomRefs2="a6 a73" order="S"/>
                  <bond atomRefs2="a6 a58" order="S"/>
                  <bond atomRefs2="a6 a53" order="S"/>
                  <bond atomRefs2="a6 a51" order="S"/>
                  <bond atomRefs2="a6 a59" order="S"/>
                  <bond atomRefs2="a7 a72" order="S"/>
                  <bond atomRefs2="a7 a77" order="S"/>
                  <bond atomRefs2="a7 a74" order="S"/>
                  <bond atomRefs2="a7 a76" order="S"/>
                  <bond atomRefs2="a7 a52" order="S"/>
                  <bond atomRefs2="a7 a64" order="S"/>
                  <bond atomRefs2="a8 a68" order="S"/>
                  <bond atomRefs2="a8 a63" order="S"/>
                  <bond atomRefs2="a8 a65" order="S"/>
                  <bond atomRefs2="a8 a48" order="S"/>
                  <bond atomRefs2="a8 a75" order="S"/>
                  <bond atomRefs2="a9 a44" order="S"/>
                  <bond atomRefs2="a9 a50" order="S"/>
                  <bond atomRefs2="a9 a47" order="S"/>
                  <bond atomRefs2="a9 a57" order="S"/>
                  <bond atomRefs2="a10 a66" order="S"/>
                  <bond atomRefs2="a10 a65" order="S"/>
                  <bond atomRefs2="a10 a61" order="S"/>
                  <bond atomRefs2="a10 a63" order="S"/>
                  <bond atomRefs2="a10 a41" order="S"/>
                  <bond atomRefs2="a11 a72" order="S"/>
                  <bond atomRefs2="a11 a77" order="S"/>
                  <bond atomRefs2="a11 a80" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
                  <bond atomRefs2="a11 a70" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a12 a49" order="S"/>
                  <bond atomRefs2="a12 a44" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a12 a46" order="S"/>
                  <bond atomRefs2="a12 a17" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a56" order="S"/>
                  <bond atomRefs2="a13 a79" order="S"/>
                  <bond atomRefs2="a13 a72" order="S"/>
                  <bond atomRefs2="a13 a76" order="S"/>
                  <bond atomRefs2="a13 a71" order="S"/>
                  <bond atomRefs2="a13 a69" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a68" order="S"/>
                  <bond atomRefs2="a14 a63" order="S"/>
                  <bond atomRefs2="a14 a61" order="S"/>
                  <bond atomRefs2="a14 a69" order="S"/>
                  <bond atomRefs2="a14 a71" order="S"/>
                  <bond atomRefs2="a15 a76" order="S"/>
                  <bond atomRefs2="a15 a59" order="S"/>
                  <bond atomRefs2="a15 a52" order="S"/>
                  <bond atomRefs2="a15 a56" order="S"/>
                  <bond atomRefs2="a15 a51" order="S"/>
                  <bond atomRefs2="a15 a49" order="S"/>
                  <bond atomRefs2="a16 a60" order="S"/>
                  <bond atomRefs2="a16 a54" order="S"/>
                  <bond atomRefs2="a16 a57" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a17 a46" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a17 a45" order="S"/>
                  <bond atomRefs2="a17 a43" order="S"/>
                  <bond atomRefs2="a18 a69" order="S"/>
                  <bond atomRefs2="a18 a70" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a64" order="S"/>
                  <bond atomRefs2="a18 a62" order="S"/>
                  <bond atomRefs2="a18 a72" order="S"/>
                  <bond atomRefs2="a19 a64" order="S"/>
                  <bond atomRefs2="a19 a70" order="S"/>
                  <bond atomRefs2="a19 a67" order="S"/>
                  <bond atomRefs2="a19 a50" order="S"/>
                  <bond atomRefs2="a19 a77" order="S"/>
                  <bond atomRefs2="a20 a48" order="S"/>
                  <bond atomRefs2="a20 a43" order="S"/>
                  <bond atomRefs2="a20 a45" order="S"/>
                  <bond atomRefs2="a20 a55" order="S"/>
                  <bond atomRefs2="a21 a48" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a21 a41" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a21 a63" order="S"/>
                  <bond atomRefs2="a21 a51" order="S"/>
                  <bond atomRefs2="a22 a79" order="S"/>
                  <bond atomRefs2="a22 a80" order="S"/>
                  <bond atomRefs2="a22 a74" order="S"/>
                  <bond atomRefs2="a22 a72" order="S"/>
                  <bond atomRefs2="a23 a41" order="S"/>
                  <bond atomRefs2="a23 a45" order="S"/>
                  <bond atomRefs2="a23 a48" order="S"/>
                  <bond atomRefs2="a23 a65" order="S"/>
                  <bond atomRefs2="a24 a60" order="S"/>
                  <bond atomRefs2="a24 a77" order="S"/>
                  <bond atomRefs2="a24 a52" order="S"/>
                  <bond atomRefs2="a24 a57" order="S"/>
                  <bond atomRefs2="a24 a50" order="S"/>
                  <bond atomRefs2="a25 a56" order="S"/>
                  <bond atomRefs2="a25 a53" order="S"/>
                  <bond atomRefs2="a25 a55" order="S"/>
                  <bond atomRefs2="a25 a51" order="S"/>
                  <bond atomRefs2="a25 a43" order="S"/>
                  <bond atomRefs2="a26 a60" order="S"/>
                  <bond atomRefs2="a26 a74" order="S"/>
                  <bond atomRefs2="a26 a59" order="S"/>
                  <bond atomRefs2="a26 a54" order="S"/>
                  <bond atomRefs2="a26 a52" order="S"/>
                  <bond atomRefs2="a27 a79" order="S"/>
                  <bond atomRefs2="a27 a74" order="S"/>
                  <bond atomRefs2="a27 a73" order="S"/>
                  <bond atomRefs2="a27 a76" order="S"/>
                  <bond atomRefs2="a27 a59" order="S"/>
                  <bond atomRefs2="a28 a62" order="S"/>
                  <bond atomRefs2="a28 a67" order="S"/>
                  <bond atomRefs2="a28 a64" order="S"/>
                  <bond atomRefs2="a28 a66" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a29 a69" order="S"/>
                  <bond atomRefs2="a29 a64" order="S"/>
                  <bond atomRefs2="a29 a63" order="S"/>
                  <bond atomRefs2="a29 a66" order="S"/>
                  <bond atomRefs2="a29 a49" order="S"/>
                  <bond atomRefs2="a29 a76" order="S"/>
                  <bond atomRefs2="a30 a62" order="S"/>
                  <bond atomRefs2="a30 a67" order="S"/>
                  <bond atomRefs2="a30 a70" order="S"/>
                  <bond atomRefs2="a31 a75" order="S"/>
                  <bond atomRefs2="a31 a58" order="S"/>
                  <bond atomRefs2="a31 a51" order="S"/>
                  <bond atomRefs2="a31 a55" order="S"/>
                  <bond atomRefs2="a31 a48" order="S"/>
                  <bond atomRefs2="a32 a78" order="S"/>
                  <bond atomRefs2="a32 a73" order="S"/>
                  <bond atomRefs2="a32 a75" order="S"/>
                  <bond atomRefs2="a32 a58" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a33 a42" order="S"/>
                  <bond atomRefs2="a33 a46" order="S"/>
                  <bond atomRefs2="a33 a41" order="S"/>
                  <bond atomRefs2="a33 a66" order="S"/>
                  <bond atomRefs2="a34 a42" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a44" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a35 a61" order="S"/>
                  <bond atomRefs2="a35 a65" order="S"/>
                  <bond atomRefs2="a35 a68" order="S"/>
                  <bond atomRefs2="a36 a76" order="S"/>
                  <bond atomRefs2="a36 a71" order="S"/>
                  <bond atomRefs2="a36 a75" order="S"/>
                  <bond atomRefs2="a36 a73" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a36 a63" order="S"/>
                  <bond atomRefs2="a37 a54" order="S"/>
                  <bond atomRefs2="a37 a57" order="S"/>
                  <bond atomRefs2="a37 a52" order="S"/>
                  <bond atomRefs2="a37 a56" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a38 a58" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a38 a55" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a39 a50" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a39 a64" order="S"/>
                  <bond atomRefs2="a39 a52" order="S"/>
                  <bond atomRefs2="a40 a42" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a50" order="S"/>
                  <bond atomRefs2="a40 a67" 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="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a41"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a43"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a51"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a53"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a55"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a58"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a61"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a63"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a65"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a68"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a71"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a73"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a75"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a78"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a60" order="S"/>
                  <bond atomRefs2="a1 a74" order="S"/>
                  <bond atomRefs2="a1 a80" order="S"/>
                  <bond atomRefs2="a1 a77" order="S"/>
                  <bond atomRefs2="a2 a59" order="S"/>
                  <bond atomRefs2="a2 a54" order="S"/>
                  <bond atomRefs2="a2 a56" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a3 a71" order="S"/>
                  <bond atomRefs2="a3 a75" order="S"/>
                  <bond atomRefs2="a3 a78" order="S"/>
                  <bond atomRefs2="a3 a68" order="S"/>
                  <bond atomRefs2="a4 a69" order="S"/>
                  <bond atomRefs2="a4 a62" order="S"/>
                  <bond atomRefs2="a4 a61" order="S"/>
                  <bond atomRefs2="a4 a66" order="S"/>
                  <bond atomRefs2="a5 a78" order="S"/>
                  <bond atomRefs2="a5 a73" order="S"/>
                  <bond atomRefs2="a5 a71" order="S"/>
                  <bond atomRefs2="a5 a79" order="S"/>
                  <bond atomRefs2="a6 a73" order="S"/>
                  <bond atomRefs2="a6 a58" order="S"/>
                  <bond atomRefs2="a6 a53" order="S"/>
                  <bond atomRefs2="a6 a51" order="S"/>
                  <bond atomRefs2="a6 a59" order="S"/>
                  <bond atomRefs2="a7 a72" order="S"/>
                  <bond atomRefs2="a7 a77" order="S"/>
                  <bond atomRefs2="a7 a74" order="S"/>
                  <bond atomRefs2="a7 a76" order="S"/>
                  <bond atomRefs2="a7 a52" order="S"/>
                  <bond atomRefs2="a7 a64" order="S"/>
                  <bond atomRefs2="a8 a68" order="S"/>
                  <bond atomRefs2="a8 a63" order="S"/>
                  <bond atomRefs2="a8 a65" order="S"/>
                  <bond atomRefs2="a8 a48" order="S"/>
                  <bond atomRefs2="a8 a75" order="S"/>
                  <bond atomRefs2="a9 a44" order="S"/>
                  <bond atomRefs2="a9 a50" order="S"/>
                  <bond atomRefs2="a9 a47" order="S"/>
                  <bond atomRefs2="a9 a57" order="S"/>
                  <bond atomRefs2="a10 a66" order="S"/>
                  <bond atomRefs2="a10 a65" order="S"/>
                  <bond atomRefs2="a10 a61" order="S"/>
                  <bond atomRefs2="a10 a63" order="S"/>
                  <bond atomRefs2="a10 a41" order="S"/>
                  <bond atomRefs2="a11 a72" order="S"/>
                  <bond atomRefs2="a11 a77" order="S"/>
                  <bond atomRefs2="a11 a80" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
                  <bond atomRefs2="a11 a70" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a12 a49" order="S"/>
                  <bond atomRefs2="a12 a44" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a12 a46" order="S"/>
                  <bond atomRefs2="a12 a17" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a56" order="S"/>
                  <bond atomRefs2="a13 a79" order="S"/>
                  <bond atomRefs2="a13 a72" order="S"/>
                  <bond atomRefs2="a13 a76" order="S"/>
                  <bond atomRefs2="a13 a71" order="S"/>
                  <bond atomRefs2="a13 a69" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a68" order="S"/>
                  <bond atomRefs2="a14 a63" order="S"/>
                  <bond atomRefs2="a14 a61" order="S"/>
                  <bond atomRefs2="a14 a69" order="S"/>
                  <bond atomRefs2="a14 a71" order="S"/>
                  <bond atomRefs2="a15 a76" order="S"/>
                  <bond atomRefs2="a15 a59" order="S"/>
                  <bond atomRefs2="a15 a52" order="S"/>
                  <bond atomRefs2="a15 a56" order="S"/>
                  <bond atomRefs2="a15 a51" order="S"/>
                  <bond atomRefs2="a15 a49" order="S"/>
                  <bond atomRefs2="a16 a60" order="S"/>
                  <bond atomRefs2="a16 a54" order="S"/>
                  <bond atomRefs2="a16 a57" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a17 a46" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a17 a45" order="S"/>
                  <bond atomRefs2="a17 a43" order="S"/>
                  <bond atomRefs2="a18 a69" order="S"/>
                  <bond atomRefs2="a18 a70" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a64" order="S"/>
                  <bond atomRefs2="a18 a62" order="S"/>
                  <bond atomRefs2="a18 a72" order="S"/>
                  <bond atomRefs2="a19 a64" order="S"/>
                  <bond atomRefs2="a19 a70" order="S"/>
                  <bond atomRefs2="a19 a67" order="S"/>
                  <bond atomRefs2="a19 a50" order="S"/>
                  <bond atomRefs2="a19 a77" order="S"/>
                  <bond atomRefs2="a20 a48" order="S"/>
                  <bond atomRefs2="a20 a43" order="S"/>
                  <bond atomRefs2="a20 a45" order="S"/>
                  <bond atomRefs2="a20 a55" order="S"/>
                  <bond atomRefs2="a21 a48" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a21 a41" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a21 a63" order="S"/>
                  <bond atomRefs2="a21 a51" order="S"/>
                  <bond atomRefs2="a22 a79" order="S"/>
                  <bond atomRefs2="a22 a80" order="S"/>
                  <bond atomRefs2="a22 a74" order="S"/>
                  <bond atomRefs2="a22 a72" order="S"/>
                  <bond atomRefs2="a23 a41" order="S"/>
                  <bond atomRefs2="a23 a45" order="S"/>
                  <bond atomRefs2="a23 a48" order="S"/>
                  <bond atomRefs2="a23 a65" order="S"/>
                  <bond atomRefs2="a24 a60" order="S"/>
                  <bond atomRefs2="a24 a77" order="S"/>
                  <bond atomRefs2="a24 a52" order="S"/>
                  <bond atomRefs2="a24 a57" order="S"/>
                  <bond atomRefs2="a24 a50" order="S"/>
                  <bond atomRefs2="a25 a56" order="S"/>
                  <bond atomRefs2="a25 a53" order="S"/>
                  <bond atomRefs2="a25 a55" order="S"/>
                  <bond atomRefs2="a25 a51" order="S"/>
                  <bond atomRefs2="a25 a43" order="S"/>
                  <bond atomRefs2="a26 a60" order="S"/>
                  <bond atomRefs2="a26 a74" order="S"/>
                  <bond atomRefs2="a26 a59" order="S"/>
                  <bond atomRefs2="a26 a54" order="S"/>
                  <bond atomRefs2="a26 a52" order="S"/>
                  <bond atomRefs2="a27 a79" order="S"/>
                  <bond atomRefs2="a27 a74" order="S"/>
                  <bond atomRefs2="a27 a73" order="S"/>
                  <bond atomRefs2="a27 a76" order="S"/>
                  <bond atomRefs2="a27 a59" order="S"/>
                  <bond atomRefs2="a28 a62" order="S"/>
                  <bond atomRefs2="a28 a67" order="S"/>
                  <bond atomRefs2="a28 a64" order="S"/>
                  <bond atomRefs2="a28 a66" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a29 a69" order="S"/>
                  <bond atomRefs2="a29 a64" order="S"/>
                  <bond atomRefs2="a29 a63" order="S"/>
                  <bond atomRefs2="a29 a66" order="S"/>
                  <bond atomRefs2="a29 a49" order="S"/>
                  <bond atomRefs2="a29 a76" order="S"/>
                  <bond atomRefs2="a30 a62" order="S"/>
                  <bond atomRefs2="a30 a67" order="S"/>
                  <bond atomRefs2="a30 a70" order="S"/>
                  <bond atomRefs2="a31 a75" order="S"/>
                  <bond atomRefs2="a31 a58" order="S"/>
                  <bond atomRefs2="a31 a51" order="S"/>
                  <bond atomRefs2="a31 a55" order="S"/>
                  <bond atomRefs2="a31 a48" order="S"/>
                  <bond atomRefs2="a32 a78" order="S"/>
                  <bond atomRefs2="a32 a73" order="S"/>
                  <bond atomRefs2="a32 a75" order="S"/>
                  <bond atomRefs2="a32 a58" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a33 a42" order="S"/>
                  <bond atomRefs2="a33 a46" order="S"/>
                  <bond atomRefs2="a33 a41" order="S"/>
                  <bond atomRefs2="a33 a66" order="S"/>
                  <bond atomRefs2="a34 a42" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a44" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a35 a61" order="S"/>
                  <bond atomRefs2="a35 a65" order="S"/>
                  <bond atomRefs2="a35 a68" order="S"/>
                  <bond atomRefs2="a36 a76" order="S"/>
                  <bond atomRefs2="a36 a71" order="S"/>
                  <bond atomRefs2="a36 a75" order="S"/>
                  <bond atomRefs2="a36 a73" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a36 a63" order="S"/>
                  <bond atomRefs2="a37 a54" order="S"/>
                  <bond atomRefs2="a37 a57" order="S"/>
                  <bond atomRefs2="a37 a52" order="S"/>
                  <bond atomRefs2="a37 a56" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a38 a58" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a38 a55" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a39 a50" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a39 a64" order="S"/>
                  <bond atomRefs2="a39 a52" order="S"/>
                  <bond atomRefs2="a40 a42" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a50" order="S"/>
                  <bond atomRefs2="a40 a67" 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="728">-18.8780 -18.6317 -18.4963 -18.4645 -18.3031 -18.2082 -18.1694 -18.0908 -18.0289 -17.9727 -17.9604 -17.8859 -17.8481 -17.8293 -17.8084 -17.7754 -17.7343 -17.7063 -17.6907 -17.6403 -17.6302 -17.6187 -17.6023 -17.5776 -17.5543 -17.5096 -17.4965 -17.4586 -17.4394 -17.4101 -17.3880 -17.3676 -17.3442 -17.3058 -17.2905 -17.2382 -17.1940 -17.0674 -16.9962 -16.9046 -6.8592 -6.8404 -6.7733 -6.6903 -6.6165 -6.5854 -6.5538 -6.4400 -6.3845 -6.3578 -6.3135 -6.2960 -6.2508 -6.2327 -6.2137 -6.1956 -6.1681 -6.1504 -6.1280 -6.1185 -6.0915 -6.0826 -6.0623 -6.0427 -6.0177 -5.9939 -5.9779 -5.9430 -5.9264 -5.9014 -5.8796 -5.8633 -5.8537 -5.8336 -5.8145 -5.7998 -5.7755 -5.7672 -5.7467 -5.7200 -5.6924 -5.6832 -5.6660 -5.6454 -5.6327 -5.5942 -5.5792 -5.5536 -5.5455 -5.5321 -5.4994 -5.4800 -5.4632 -5.4375 -5.4115 -5.3444 -5.3370 -5.3234 -5.2823 -5.2716 -5.2416 -5.2145 -5.1808 -5.1551 -5.1391 -5.0995 -5.0645 -5.0423 -5.0199 -4.9851 -4.9460 -4.9056 -4.8734 -4.8508 -4.8116 -4.7685 -4.7419 -4.7106 -4.6850 -4.6344 -4.6110 -4.5727 -4.5334 -4.5057 -4.4459 -4.4241 -4.3991 -4.3657 -4.3416 -4.3067 -4.2855 -4.2535 -4.2190 -4.1908 -4.1772 -4.1471 -4.1179 -4.0914 -4.0710 -4.0422 -4.0199 -4.0044 -3.9772 -3.9481 -3.9263 -3.8995 -3.8701 -3.8317 -3.8257 -3.7839 -3.7761 -3.7468 -3.7186 -3.6861 -3.6627 -3.6313 -3.6031 -3.5675 -3.5404 -3.5173 -3.4904 -3.4605 -3.4328 -3.3950 -3.3480 -3.2984 -3.2796 -3.2260 -3.2030 -3.1759 -3.1510 -3.1265 -3.1046 -3.0790 -3.0366 -3.0161 -2.9889 -2.9709 -2.9446 -2.8862 -2.8700 -2.8358 -2.8134 -2.7869 -2.7516 -2.7206 -2.6867 -2.6648 -2.6541 -2.5827 -2.5472 -2.5010 -2.4803 -2.4376 -2.4096 -2.3649 -2.3432 -2.3085 -2.2615 -2.2219 -2.1911 -2.1233 -2.0635 -2.0064 -1.9853 -1.9211 -1.8608 -1.8230 -1.7963 -1.7415 -1.7277 -1.7014 -1.6749 -1.6016 -1.5528 -1.5301 -1.5045 -1.4945 -1.4636 -1.4470 -1.4280 -1.4050 -1.3880 -1.3705 -1.3493 -1.3387 -1.3253 -1.3039 -1.3015 -1.2890 -1.2761 -1.2657 -1.2551 -1.2466 -1.2227 -1.2139 -1.1987 -1.1925 -1.1698 -1.1603 -1.1431 -1.1341 -1.1196 -1.1084 -1.0957 -1.0852 -1.0806 -1.0501 -1.0344 -1.0229 -1.0127 -1.0063 -0.9950 -0.9715 -0.9637 -0.9469 -0.9428 -0.9293 -0.9086 -0.9007 -0.8924 -0.8786 -0.8649 -0.8526 -0.8321 -0.8207 -0.8110 -0.8028 -0.7888 -0.7764 -0.7499 -0.7101 -0.6827 -0.6138 -0.5836 -0.5666 -0.4749 -0.4509 -0.4374 -0.4047 -0.3775 -0.3472 -0.3157 -0.2924 -0.2729 -0.2429 -0.2062 -0.1945 -0.1472 -0.1280 -0.0828 -0.0688 -0.0363 -0.0240 0.0228 0.0556 0.1912 0.2160 0.2566 0.3314 0.3591 0.4205 0.4648 0.5076 0.5571 0.6129 0.7688 0.8764 1.3333 1.5673 2.1486 2.4829 3.5208 3.7355 3.8010 3.9220 4.0166 4.3394 4.6491 4.7503 4.8031 4.8440 4.9385 4.9795 5.0666 5.4164 5.4645 5.5708 5.6278 5.6537 5.7338 5.7784 5.8731 5.9501 5.9733 6.0121 6.0499 6.1678 6.1969 6.3752 6.5409 6.6099 6.7110 6.7383 6.7772 6.8527 6.8903 6.9454 7.0876 7.1044 7.1541 7.2196 7.3357 7.4304 7.4850 7.5200 7.5582 7.6614 7.7715 7.8910 7.9309 8.0398 8.0905 8.1274 -18.8780 -18.6295 -18.5011 -18.4697 -18.2771 -18.2162 -18.1791 -18.0781 -18.0299 -18.0069 -17.9493 -17.9015 -17.8511 -17.8050 -17.7938 -17.7653 -17.7345 -17.7182 -17.6771 -17.6641 -17.6346 -17.6162 -17.5936 -17.5831 -17.5552 -17.5099 -17.4977 -17.4539 -17.4336 -17.4158 -17.3974 -17.3549 -17.3449 -17.3081 -17.2938 -17.2356 -17.1937 -17.0684 -16.9969 -16.9038 -6.8624 -6.8340 -6.7761 -6.6920 -6.6113 -6.5881 -6.5622 -6.4229 -6.3960 -6.3503 -6.3397 -6.3044 -6.2790 -6.2281 -6.2236 -6.1917 -6.1702 -6.1324 -6.1099 -6.0972 -6.0750 -6.0688 -6.0484 -6.0296 -6.0105 -5.9921 -5.9719 -5.9508 -5.9332 -5.9196 -5.8900 -5.8710 -5.8480 -5.8261 -5.8201 -5.7860 -5.7763 -5.7668 -5.7476 -5.7274 -5.6984 -5.6913 -5.6676 -5.6498 -5.6271 -5.5970 -5.5819 -5.5571 -5.5329 -5.5155 -5.4892 -5.4763 -5.4523 -5.4367 -5.4169 -5.3756 -5.3476 -5.3343 -5.3034 -5.2857 -5.2595 -5.2200 -5.1893 -5.1602 -5.1344 -5.1054 -5.0790 -5.0474 -5.0262 -4.9879 -4.9534 -4.9141 -4.8476 -4.8084 -4.7942 -4.7629 -4.7349 -4.6921 -4.6816 -4.6438 -4.5898 -4.5610 -4.5377 -4.4968 -4.4563 -4.4464 -4.4121 -4.3775 -4.3646 -4.3097 -4.2641 -4.2269 -4.2163 -4.1811 -4.1522 -4.1273 -4.0841 -4.0690 -4.0577 -4.0393 -4.0169 -3.9970 -3.9712 -3.9492 -3.9229 -3.9161 -3.8867 -3.8558 -3.7951 -3.7820 -3.7579 -3.7327 -3.7275 -3.7001 -3.6764 -3.6390 -3.6085 -3.5901 -3.5595 -3.5233 -3.5038 -3.4846 -3.4495 -3.4263 -3.3651 -3.3232 -3.2928 -3.2631 -3.2329 -3.1919 -3.1864 -3.1432 -3.1155 -3.0777 -3.0459 -3.0008 -2.9649 -2.9485 -2.9024 -2.8932 -2.8672 -2.8380 -2.8025 -2.7521 -2.7251 -2.6906 -2.6760 -2.6417 -2.6145 -2.5602 -2.5497 -2.5114 -2.4908 -2.4412 -2.4180 -2.4081 -2.3374 -2.2870 -2.2590 -2.2110 -2.1678 -2.1196 -2.0610 -1.9978 -1.9396 -1.9205 -1.8580 -1.8237 -1.7943 -1.7558 -1.7249 -1.6820 -1.6595 -1.6005 -1.5653 -1.5515 -1.5332 -1.5034 -1.4661 -1.4461 -1.4321 -1.4206 -1.3949 -1.3815 -1.3725 -1.3479 -1.3359 -1.3259 -1.3074 -1.3001 -1.2922 -1.2563 -1.2439 -1.2378 -1.2253 -1.2071 -1.1917 -1.1818 -1.1728 -1.1567 -1.1427 -1.1337 -1.1148 -1.1064 -1.0884 -1.0778 -1.0622 -1.0596 -1.0353 -1.0262 -1.0140 -0.9994 -0.9912 -0.9842 -0.9678 -0.9533 -0.9412 -0.9274 -0.9150 -0.9074 -0.9033 -0.8838 -0.8774 -0.8651 -0.8404 -0.8313 -0.8080 -0.7985 -0.7883 -0.7603 -0.7460 -0.7299 -0.6870 -0.6117 -0.5851 -0.5551 -0.4949 -0.4345 -0.4205 -0.3978 -0.3606 -0.3186 -0.3139 -0.2888 -0.2789 -0.2384 -0.2080 -0.1820 -0.1527 -0.1266 -0.0995 -0.0652 -0.0336 0.0044 0.0343 0.0603 0.1602 0.2062 0.2650 0.3234 0.3578 0.4125 0.4701 0.5066 0.5515 0.6076 0.7804 0.8770 1.3336 1.5673 2.1462 2.4826 3.5312 3.7500 3.7685 3.9140 4.0303 4.3426 4.6830 4.7599 4.8101 4.8448 4.8759 4.9788 5.0687 5.4129 5.4783 5.5631 5.6028 5.6846 5.7370 5.7831 5.8472 5.9322 5.9700 6.0173 6.0348 6.1902 6.2424 6.3777 6.4946 6.6504 6.7080 6.7575 6.7845 6.8359 6.8864 6.9538 7.0741 7.1261 7.1722 7.2728 7.3500 7.3682 7.4080 7.5030 7.5704 7.7360 7.8043 7.8363 7.9526 8.0368 8.0723 8.1480</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="728">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99729 0.36096 0.00037 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.99959 0.23439 0.00046 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="728">-18.7833 -18.4962 -18.4046 -18.3677 -18.1670 -18.1210 -18.0774 -18.0064 -17.9459 -17.8883 -17.8577 -17.7726 -17.7471 -17.7111 -17.6980 -17.6676 -17.6354 -17.6041 -17.5835 -17.5490 -17.5146 -17.4915 -17.4782 -17.4509 -17.4376 -17.4183 -17.3973 -17.3834 -17.3401 -17.3139 -17.2745 -17.2608 -17.2210 -17.1841 -17.1266 -17.0952 -16.9994 -16.8282 -16.7583 -16.6671 -6.8124 -6.7996 -6.7306 -6.6457 -6.5529 -6.5350 -6.4983 -6.4009 -6.3433 -6.3211 -6.2667 -6.2328 -6.2011 -6.1802 -6.1671 -6.1500 -6.1184 -6.1008 -6.0882 -6.0704 -6.0461 -6.0362 -6.0214 -5.9986 -5.9553 -5.9478 -5.9365 -5.8887 -5.8738 -5.8576 -5.8300 -5.8134 -5.7935 -5.7806 -5.7642 -5.7548 -5.7269 -5.7087 -5.6979 -5.6783 -5.6459 -5.6368 -5.6270 -5.6026 -5.5936 -5.5519 -5.5435 -5.5170 -5.5076 -5.4887 -5.4646 -5.4305 -5.4153 -5.3890 -5.3464 -5.2861 -5.2677 -5.2589 -5.2124 -5.1886 -5.1709 -5.1451 -5.0873 -5.0733 -5.0632 -5.0006 -4.9900 -4.9406 -4.9071 -4.8847 -4.8431 -4.8216 -4.7644 -4.7441 -4.7114 -4.6608 -4.6514 -4.6149 -4.5618 -4.5191 -4.4776 -4.4438 -4.4020 -4.3800 -4.3474 -4.3164 -4.2553 -4.2417 -4.2037 -4.1786 -4.1335 -4.0718 -4.0509 -3.9910 -3.9664 -3.9300 -3.9105 -3.8709 -3.8330 -3.7926 -3.7847 -3.7551 -3.7247 -3.7043 -3.6807 -3.6405 -3.6086 -3.5755 -3.5432 -3.5189 -3.4912 -3.4682 -3.4585 -3.4266 -3.3928 -3.3633 -3.3391 -3.3253 -3.2913 -3.2670 -3.2512 -3.2234 -3.1861 -3.1551 -3.1345 -3.0845 -3.0631 -3.0456 -3.0025 -2.9697 -2.9547 -2.9146 -2.9007 -2.8613 -2.8393 -2.7953 -2.7828 -2.7623 -2.7350 -2.7122 -2.6788 -2.6613 -2.6258 -2.6105 -2.5562 -2.5264 -2.5085 -2.4946 -2.4522 -2.4224 -2.3912 -2.3488 -2.3133 -2.2525 -2.2320 -2.2098 -2.1489 -2.1285 -2.0987 -2.0545 -2.0207 -1.9627 -1.9302 -1.8499 -1.8363 -1.7810 -1.7381 -1.7106 -1.6797 -1.6245 -1.5952 -1.5677 -1.5320 -1.4715 -1.4559 -1.4390 -1.4087 -1.3624 -1.3372 -1.2937 -1.2409 -1.1996 -1.1692 -1.1505 -1.1368 -1.1218 -1.0948 -1.0687 -1.0570 -1.0354 -1.0203 -1.0012 -0.9877 -0.9727 -0.9572 -0.9203 -0.9111 -0.8865 -0.8499 -0.8227 -0.7976 -0.7795 -0.7706 -0.7488 -0.7359 -0.7152 -0.6813 -0.6667 -0.6343 -0.5982 -0.5644 -0.5511 -0.5136 -0.4622 -0.4414 -0.4288 -0.4020 -0.3985 -0.3725 -0.3646 -0.3378 -0.3089 -0.2950 -0.2792 -0.2563 -0.2299 -0.2089 -0.1983 -0.1720 -0.1513 -0.1314 -0.0899 -0.0814 -0.0560 -0.0341 -0.0138 -0.0086 0.0135 0.0267 0.0402 0.0574 0.0860 0.1044 0.1760 0.2793 0.3529 0.4154 0.4568 0.4651 0.7728 0.7880 0.8559 0.8741 0.9053 0.9827 1.0911 1.2333 1.3104 1.3389 1.3691 1.4960 1.5224 1.5601 1.5787 1.6407 1.6836 1.7210 1.8314 1.8571 1.9037 2.2534 2.5882 3.5975 3.8059 3.9012 4.0125 4.1819 4.3921 4.7130 4.8212 4.8927 4.9348 5.0148 5.0577 5.1367 5.5165 5.5697 5.6970 5.7423 5.8088 5.8681 5.8986 5.9764 6.0378 6.0593 6.0967 6.1437 6.2741 6.2946 6.4640 6.6413 6.7064 6.7702 6.7897 6.8690 6.9130 6.9719 7.0118 7.1583 7.1848 7.2140 7.2876 7.4155 7.5019 7.5579 7.5999 7.6205 7.7399 7.8510 7.9626 8.0129 8.1250 8.1849 8.2187 -18.7833 -18.4976 -18.3984 -18.3737 -18.1627 -18.1257 -18.0674 -18.0104 -17.9391 -17.9049 -17.8541 -17.7913 -17.7455 -17.7193 -17.6845 -17.6509 -17.6182 -17.6117 -17.5865 -17.5387 -17.5136 -17.5047 -17.4835 -17.4549 -17.4475 -17.4211 -17.3943 -17.3748 -17.3312 -17.3191 -17.2770 -17.2625 -17.2246 -17.1754 -17.1268 -17.0883 -17.0140 -16.8130 -16.7693 -16.6658 -6.8160 -6.7915 -6.7351 -6.6474 -6.5501 -6.5316 -6.5117 -6.3881 -6.3454 -6.3216 -6.2897 -6.2420 -6.2207 -6.1856 -6.1691 -6.1425 -6.1038 -6.1016 -6.0676 -6.0509 -6.0387 -6.0289 -6.0100 -5.9926 -5.9585 -5.9416 -5.9110 -5.9037 -5.8807 -5.8601 -5.8340 -5.8296 -5.7980 -5.7702 -5.7629 -5.7440 -5.7260 -5.7165 -5.7039 -5.6866 -5.6536 -5.6473 -5.6193 -5.6036 -5.5745 -5.5673 -5.5476 -5.5175 -5.5013 -5.4725 -5.4606 -5.4300 -5.4062 -5.3878 -5.3350 -5.3065 -5.2778 -5.2503 -5.2278 -5.2015 -5.1798 -5.1554 -5.1196 -5.0807 -5.0542 -5.0123 -4.9904 -4.9447 -4.9336 -4.8812 -4.8554 -4.8035 -4.7658 -4.7264 -4.6937 -4.6520 -4.6176 -4.5860 -4.5535 -4.5178 -4.4959 -4.4372 -4.3933 -4.3740 -4.3350 -4.3069 -4.3003 -4.2340 -4.2121 -4.1735 -4.1344 -4.0942 -4.0503 -4.0110 -3.9582 -3.9414 -3.8742 -3.8547 -3.8393 -3.8196 -3.7821 -3.7426 -3.7164 -3.6806 -3.6430 -3.6244 -3.5966 -3.5648 -3.5546 -3.5340 -3.4816 -3.4584 -3.4417 -3.4263 -3.4155 -3.3944 -3.3610 -3.3284 -3.3173 -3.2861 -3.2419 -3.2225 -3.1873 -3.1786 -3.1327 -3.1017 -3.0874 -3.0673 -3.0262 -3.0006 -2.9453 -2.9140 -2.8818 -2.8747 -2.8291 -2.8119 -2.7939 -2.7624 -2.7239 -2.7028 -2.6542 -2.6391 -2.6177 -2.5904 -2.5675 -2.5194 -2.4828 -2.4679 -2.4353 -2.4194 -2.3638 -2.3406 -2.3143 -2.2906 -2.2507 -2.2120 -2.1731 -2.1341 -2.1102 -2.0600 -2.0218 -1.9502 -1.9208 -1.8612 -1.8069 -1.7741 -1.7440 -1.6914 -1.6723 -1.6145 -1.5960 -1.5651 -1.5010 -1.4903 -1.4685 -1.4453 -1.4084 -1.3444 -1.3108 -1.2739 -1.2358 -1.2016 -1.1800 -1.1560 -1.1437 -1.1079 -1.0990 -1.0801 -1.0606 -1.0517 -1.0288 -1.0180 -0.9980 -0.9817 -0.9616 -0.9242 -0.9109 -0.8849 -0.8660 -0.8355 -0.7971 -0.7765 -0.7635 -0.7426 -0.7377 -0.7197 -0.6830 -0.6671 -0.6374 -0.5950 -0.5695 -0.5489 -0.5118 -0.4836 -0.4481 -0.4210 -0.4040 -0.3811 -0.3713 -0.3508 -0.3267 -0.3160 -0.2898 -0.2849 -0.2687 -0.2375 -0.2115 -0.1796 -0.1668 -0.1524 -0.1218 -0.1016 -0.0829 -0.0568 -0.0302 -0.0147 -0.0043 0.0039 0.0095 0.0260 0.0508 0.0903 0.1078 0.1782 0.2847 0.3418 0.4323 0.4614 0.4846 0.7741 0.7948 0.8498 0.8814 0.9026 0.9786 1.0918 1.2342 1.3251 1.3439 1.3717 1.4871 1.5181 1.5551 1.5716 1.6384 1.6960 1.7274 1.8292 1.8460 1.9032 2.2490 2.5879 3.6111 3.8185 3.8667 4.0496 4.1376 4.3965 4.7429 4.8250 4.9122 4.9196 4.9820 5.0966 5.1491 5.5248 5.5558 5.6459 5.6832 5.8020 5.8443 5.8960 5.9740 6.0275 6.1029 6.1251 6.1522 6.2942 6.3307 6.4569 6.6283 6.7166 6.7706 6.8240 6.8642 6.9045 6.9680 7.0206 7.1427 7.2057 7.2483 7.3421 7.4096 7.4329 7.4904 7.5838 7.6371 7.8136 7.8869 7.9167 8.0209 8.1278 8.1526 8.2486</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="728">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99916 0.58390 0.35473 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.97424 0.45529 0.03962 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="30"
                          units="nonsi2:ev.angstrom-1">0.036647 0.066731 -0.225000 -0.037484 -0.034359 0.047452 -0.129725 0.064433 0.375276 0.006654 -0.040028 0.210350 -0.102919 0.076402 0.150419 0.028394 -0.060715 0.038624 -0.012322 -0.091704 0.271259 -0.017268 -0.063056 0.230818 -0.009838 -0.075178 -0.312389 0.105236 -0.058454 -0.036837 0.089512 0.001839 -0.376641 -0.008741 0.113456 -0.296867 0.253353 -0.068589 0.117554 0.031089 -0.147663 0.023962 0.079360 0.068388 0.028859 0.119063 -0.015089 -0.255152 -0.126556 0.169777 0.074435 -0.255280 -0.116923 0.054953 -0.113942 -0.021575 -0.205391 0.098454 0.107964 0.416446 -0.078223 -0.086704 -0.219140 0.147200 -0.005682 0.217057 0.158331 0.070470 -0.862525 0.101762 0.061370 0.831834 -0.034046 -0.064277 -0.087775 -0.170535 -0.002955 0.216722 0.029397 0.020907 0.042062 0.046369 0.172955 0.207760 -0.024447 0.050797 0.013532 -0.054168 -0.037407 0.746058 -0.139770 0.031648 0.013515 0.053218 -0.030996 -0.117851 0.012483 0.099463 -0.059658 -0.075300 -0.176415 0.172460 0.100245 -0.108290 -0.134945 -0.077882 -0.013255 -0.128696 0.080254 0.155830 0.268640 -0.026888 0.028123 -0.125066 0.153107 0.089497 0.214056 -0.053083 0.003234 0.215737 -0.601412 0.104553 0.808322 -0.090831 0.310529 -0.313398 -0.791664 -0.573570 0.055993 0.022735 -0.438372 -0.014655 0.120704 -0.014285 -0.133474 -0.072454 -0.311064 -0.362285 -0.008716 0.168753 0.372900 -0.004784 0.067292 -0.282128 0.368524 -0.449729 -0.114179 0.133853 -0.004390 0.382930 0.569687 0.421405 0.406136 0.080669 0.467845 -1.259239 0.605138 0.091558 0.479623 -0.011076 -0.046556 -0.231792 -0.071304 -0.304314 -0.578900 -0.006296 -0.046379 0.083164 0.063413 0.092325 0.419556 0.002904 0.028277 0.045804 -0.314766 -0.376804 -0.559157 -0.210513 0.007592 0.296491 -0.086315 -0.042912 0.252442 0.092962 -0.320411 -1.160134 -0.433896 0.373679 -0.311280 0.429679 0.398406 0.338706 0.107421 -0.036378 0.130959 -0.161639 0.357058 -0.199293 -0.048182 -0.125893 0.040562 0.250804 0.021368 -0.088558 0.231655 0.556514 -0.104247 0.272831 -0.129016 0.099919 0.104072 -0.454847 -0.092063 -0.354411 -0.431746 -0.158588 0.478736 -0.084151 0.055472 -0.471503 0.050403 0.254850 -0.131016 0.291499 -0.339986 0.151425 0.053680 0.298347 -0.020790 -0.225684 -0.134412 -0.270351 -0.033161 -0.086093 0.028800 0.401104 -0.513696 -0.135804 0.051850 0.459473 -0.042624 -0.017984 -0.128675 -0.017612 -0.013569 -0.037627 -0.138079 0.006252 0.367375 0.069827 0.010350 -0.086488 -0.067654 0.086644 0.108196 0.024519 -0.060478 0.000453 -0.026318 -0.052886 0.136656 -0.017771 -0.051348 0.212618 0.082475 -0.018070 -0.162484 0.107429 -0.009391 -0.064922 0.069319 -0.037072 -0.278377 -0.021103 0.022038 -0.113907 0.100825 -0.065687 0.137039 -0.008056 -0.190310 0.069382 0.032349 0.087479 -0.108979 -0.027422 0.093212 -0.154055 -0.127243 0.137975 0.045494 -0.162595 -0.074736 -0.115595 0.013221 -0.100226 -0.134570 0.026611 0.103939 0.354375 -0.079254 -0.054843 -0.221763 0.083305 -0.061764 0.056560 0.160267 0.070172 -0.875059 0.058172 0.013861 0.539334 -0.022571 -0.060029 -0.060310 -0.135079 0.054333 0.062218 0.014569 0.017542 0.095238 0.003894 0.109559 0.028149 -0.003725 0.077034 0.033263 -0.023948 -0.031435 0.511395 -0.140388 0.066869 -0.003504 0.055852 -0.029107 -0.134122 0.023374 0.072910 -0.041986 -0.012072 -0.108967 0.014966 0.110379 -0.105088 -0.120580 -0.091163 0.002099 -0.083796 0.006093 0.143341 0.184367 0.011495 0.027817 -0.155360 0.124264 0.060507 0.111083 -0.068091 0.033431 0.119516 -0.595076 0.105472 0.833750 -0.038172 -0.001397 -0.121032 -0.516554 -0.494424 -0.054379 -0.008896 -0.170918 0.059737 0.117318 -0.003845 -0.134019 -0.069017 -0.117674 -0.152267 -0.021406 -0.079349 0.217799 -0.006497 0.066174 -0.269713 0.129726 -0.237655 -0.016679 -0.177555 -0.007387 0.229775 0.572366 0.331983 0.365659 0.038547 0.232685 -0.515680 0.303607 0.098299 0.450990 -0.002184 -0.040103 -0.069716 -0.068589 -0.325989 -0.387611 0.082151 -0.062888 -0.070636 0.076272 -0.196291 0.203968 0.012750 0.034396 0.079380 -0.081774 -0.263843 -0.458712 0.167669 -0.026809 0.307700 -0.078128 -0.053411 0.239025 0.038805 -0.022390 -0.546345 -0.409447 0.321750 -0.270864 0.364841 0.141821 0.202756 0.104574 -0.046391 0.138826 -0.115935 0.152974 -0.189707 0.005116 0.085165 0.137074 0.255909 0.020815 -0.102047 0.145021 0.280147 -0.079295 -0.057051 -0.066410 0.086185 0.127289 -0.351815 -0.160902 -0.138441 -0.202445 0.026203 0.467071 -0.091337 0.115936 -0.412551 0.042123 0.097471 -0.130141 0.299283 -0.338296 0.133092 0.075931 0.159008 -0.028776 0.114862 -0.066275 -0.268231 -0.037114 -0.060253 0.024386 0.271567 -0.374646 0.112438 0.070063 0.382316 -0.039158 -0.021312 -0.027994 -0.038140 0.003354 -0.120095 -0.141673 0.009041 0.379471 0.115087 0.072109 -0.396564 -0.066018 0.111696 0.074275 -0.004465 -0.085128 -0.030500 -0.050286 0.003376 0.042592 -0.018674 -0.047331 0.207930 0.086989 -0.044262 -0.040438 0.105073 0.021783 -0.074863 0.034212 -0.047055 -0.168500 0.022556 -0.049112 -0.011565 -0.009671 -0.017376 0.124176 0.006649 -0.175231 0.108952 -0.000763 0.050804 -0.311507 -0.049023 0.078265 -0.037095 -0.133080 0.119549 0.022073 -0.057986 -0.011573 -0.165602 0.029685 -0.060053 -0.014166 0.033842 0.102928 0.366539 -0.061431 -0.051443 -0.212665 0.035526 -0.090739 0.016515 0.162105 0.070170 -0.877704 0.029938 -0.011019 0.409722 -0.016068 -0.066435 -0.026207 -0.117297 0.083398 -0.021141 0.000446 0.008542 0.120724 -0.019409 0.041780 -0.003544 0.011622 0.088123 0.056713 0.004056 -0.028486 0.391652 -0.142923 0.064527 0.004164 0.055831 -0.027896 -0.134598 0.027718 0.050470 -0.022611 0.048663 -0.051849 -0.017290 0.114231 -0.104690 -0.110029 -0.098496 0.007157 -0.044548 -0.065831 0.132178 0.118918 0.009240 0.026593 -0.147162 0.109942 0.017568 0.062358 -0.060524 0.030273 0.115655 -0.594704 0.104938 0.858595 -0.001225 -0.059926 -0.072994 -0.529934 -0.474298 -0.132726 -0.052221 0.008915 0.072703 0.115078 -0.002957 -0.129851 -0.073123 -0.010408 0.003995 -0.021327 -0.078724 0.077762 0.000342 0.066472 -0.259548 -0.032276 -0.085899 0.020335 -0.110205 -0.011427 0.100105 0.573784 0.364831 0.340321 0.013851 0.100052 -0.020351 0.314088 0.096662 0.415977 0.027687 -0.051185 0.013418 -0.067347 -0.321176 -0.405351 0.148050 -0.074139 -0.047562 0.069578 -0.103263 0.038895 0.010310 0.038761 0.102689 0.089194 -0.203794 -0.381876 0.122187 -0.031397 0.255053 -0.073749 -0.063728 0.239455 -0.030775 0.028241 -0.178705 -0.397068 0.313000 -0.259241 0.336893 -0.046052 0.058322 0.103204 -0.050077 0.141526 -0.083201 0.026764 -0.163905 -0.003341 0.079776 0.147438 0.259729 0.019909 -0.103498 0.079039 0.090363 -0.088619 -0.163571 -0.021455 0.058877 0.136403 -0.385304 -0.184364 0.032499 -0.080159 0.105683 0.454989 -0.091647 0.119256 -0.402760 0.049493 0.026725 -0.126189 0.297373 -0.340367 0.116905 0.094906 0.040116 0.011267 0.032794 -0.048241 -0.269874 -0.041424 -0.042646 0.013067 0.209579 -0.271425 0.152252 0.062915 0.287982 -0.051357 -0.053148 0.175108 -0.083015 0.048409 -0.296174 -0.151121 -0.000672 0.391071 0.206286 0.265949 -1.386624 -0.082934 0.166841 -0.025098 -0.075500 -0.152332 -0.119988 -0.093778 0.090444 -0.153040 -0.019473 -0.042709 0.190334 0.122648 -0.059483 0.227055 0.106696 0.087811 -0.104861 -0.036053 -0.059273 0.061544 0.094725 -0.184040 0.180770 -0.225720 0.055501 0.094911 0.036472 -0.153588 0.174270 -0.081572 -0.011219 -0.979347 -0.102995 0.071299 0.197201 -0.135425 0.089332 -0.058743 0.197622 0.133241 -0.229987 0.087334 -0.008638 0.259883 0.025813 0.107500 0.379769 -0.026153 -0.033405 -0.192440 -0.054798 -0.135767 -0.010425 0.169048 0.074024 -0.881022 -0.035325 -0.057426 0.232535 0.009008 -0.080386 0.034229 -0.110941 0.130722 -0.138250 -0.050701 -0.009859 0.163944 -0.065771 -0.098691 0.010839 0.050561 0.098289 0.071508 0.054667 -0.011099 0.268863 -0.156022 0.070098 0.012434 0.052707 -0.024845 -0.143105 0.042254 0.009885 -0.007212 0.156272 0.055808 -0.034198 0.123895 -0.103944 -0.109308 -0.119885 0.017248 0.023931 -0.198278 0.132794 0.015495 0.011274 0.022490 -0.144839 0.107278 -0.052322 -0.007452 -0.061280 0.013914 0.115375 -0.603190 0.099394 0.918509 0.063096 -0.037497 0.018950 -0.519674 -0.462324 -0.300132 -0.149503 0.343252 0.088148 0.108288 -0.006585 -0.126664 -0.081727 0.130579 0.338682 -0.037568 -0.060371 -0.190562 0.003388 0.065994 -0.262406 -0.359952 0.233531 0.115457 -0.111378 -0.004521 -0.167860 0.576551 0.408126 0.284084 -0.027120 -0.169546 1.182634 0.298693 0.097554 0.341568 0.098667 -0.063204 0.180418 -0.062486 -0.318932 -0.375457 0.290779 -0.089871 -0.064222 0.059985 -0.127633 -0.276546 0.019335 0.050671 0.164863 0.433662 -0.083072 -0.263976 0.185729 -0.047883 0.156345 -0.057738 -0.092381 0.308035 -0.154978 -0.014329 0.626102 -0.380928 0.324826 -0.235417 0.290818 -0.442697 -0.235011 0.098104 -0.060942 0.153437 -0.024184 -0.192573 -0.057759 0.005860 0.063531 0.095695 0.261935 0.018495 -0.106772 -0.071786 -0.304022 -0.077988 -0.296372 0.047305 -0.013612 0.149089 -0.424277 -0.233843 0.341513 0.145426 0.261671 0.443748 -0.098350 0.128497 -0.374080 0.050162 -0.150003 -0.118070 0.295232 -0.343828 0.101771 0.151445 -0.187815 0.066334 0.093893 0.021703 -0.271481 -0.047636 0.005700 0.020674 0.059123 -0.072199 0.147734 0.061354 0.092618 -0.032136 -0.032420 0.049453 -0.052959 0.021163 -0.180700 -0.144485 0.007359 0.382810 0.151701 0.141987 -0.708096 -0.069183 0.125540 0.043564 -0.026001 -0.106971 -0.059527 -0.070142 0.021262 0.001512 -0.018852 -0.045258 0.197588 0.092100 -0.051711 0.056321 0.101688 0.045069 -0.079662 -0.001221 -0.044722 -0.077237 0.052809 -0.100891 0.068190 -0.090021 0.009230 0.122554 0.015750 -0.168073 0.134352 -0.027279 0.029547 -0.501236 -0.051100 0.071144 0.063044 -0.137009 0.108374 -0.005360 0.035037 0.043155 -0.164411 0.035440 -0.031502 0.096219 0.032650 0.103434 0.367340 -0.048820 -0.046098 -0.202342 -0.005823 -0.097854 0.026236 0.163774 0.070273 -0.876038 0.002548 -0.019270 0.343136 -0.012242 -0.071480 -0.003079 -0.119562 0.089507 -0.048626 -0.016528 0.002979 0.127454 -0.032529 -0.012692 0.044069 0.026015 0.091855 0.055206 0.030516 -0.019039 0.353860 -0.147667 0.065836 0.006330 0.054005 -0.027607 -0.138655 0.032703 0.032208 -0.019221 0.093222 -0.012292 0.008726 0.117343 -0.103524 -0.110496 -0.104993 0.009845 -0.015817 -0.118394 0.124452 0.099190 0.009871 0.025828 -0.146188 0.107240 -0.019158 0.062290 -0.058001 0.013633 0.125930 -0.596904 0.104203 0.878614 0.018662 -0.011184 -0.063734 -0.527720 -0.456031 -0.189657 -0.090826 0.120789 0.066494 0.111841 -0.006140 -0.127483 -0.072139 0.036514 0.125975 -0.032768 -0.041387 -0.032727 0.001809 0.067405 -0.260112 -0.157271 0.028234 0.053592 -0.081532 -0.003523 -0.023207 0.573727 0.372597 0.319449 0.000967 0.007098 0.355550 0.308456 0.095514 0.392101 0.055423 -0.056757 0.063154 -0.065953 -0.320420 -0.401464 0.195314 -0.076342 -0.049573 0.068128 -0.123009 -0.080877 0.012655 0.043808 0.120545 0.218066 -0.152316 -0.326639 0.122008 -0.030250 0.183033 -0.071333 -0.073877 0.260463 -0.080324 -0.019349 0.041995 -0.390610 0.303167 -0.254007 0.337934 -0.182421 -0.052855 0.102218 -0.051773 0.148064 -0.060904 -0.045342 -0.127223 -0.004174 0.052163 0.108372 0.260416 0.018106 -0.103279 0.027395 -0.048395 -0.085887 -0.153704 -0.006520 0.007822 0.143660 -0.389465 -0.203728 0.146448 -0.004628 0.136966 0.449919 -0.092937 0.116464 -0.405233 0.050046 -0.030875 -0.124195 0.296987 -0.337850 0.112037 0.113409 -0.050067 0.039510 0.071484 -0.032809 -0.270562 -0.044347 -0.027218 0.016377 0.155074 -0.198547 0.093714 0.056697 0.182480 -0.010114 -0.017226 0.077185 0.012948 -0.005414 -0.058390 -0.146871 0.008827 0.393308 0.040960 0.068984 -0.250509 -0.131043 0.137451 -0.010610 0.018043 -0.119563 -0.154683 -0.036833 -0.009837 -0.010215 -0.018247 -0.047619 0.194772 0.033121 -0.042452 0.100295 0.093124 0.011507 -0.113092 0.024018 -0.035534 0.038504 0.040582 -0.008424 0.052800 -0.003316 0.025270 0.030737 0.076858 -0.170733 0.081506 -0.016704 0.012379 -0.099690 -0.017082 0.032229 0.059989 -0.132104 0.155146 -0.015265 -0.027391 -0.011213 -0.075307 0.023906 -0.017614 0.081722 0.036829 0.104117 0.367196 -0.082269 -0.046899 -0.214041 0.053952 -0.015685 -0.007055 0.167904 0.072865 -0.874056 0.013103 -0.018215 0.236645 -0.002502 -0.120734 -0.028605 -0.033040 0.022097 -0.049860 0.026809 0.030279 0.090142 -0.032920 -0.005575 -0.003512 -0.007598 0.034677 0.037473 0.007640 0.002526 0.241223 -0.152519 0.065344 -0.007702 0.052342 -0.026639 -0.135412 0.052368 0.021490 0.001344 -0.010971 -0.023351 0.010152 0.121590 -0.104553 -0.142381 -0.102548 0.061229 -0.030825 -0.007476 0.130094 0.032665 0.005372 0.024790 -0.149296 0.042713 -0.012837 0.025857 -0.046556 -0.008897 0.088318 -0.596484 0.095807 0.850254 -0.032409 0.090914 0.016877 -0.541387 -0.468101 -0.181989 -0.021737 0.081446 0.012668 0.108917 -0.021948 -0.122112 -0.011729 0.033965 0.064750 0.023174 -0.050662 -0.043484 0.006968 0.068674 -0.255118 -0.076508 0.030634 0.041188 -0.063158 -0.014414 -0.002800 0.560836 0.391977 0.268238 0.034861 -0.038344 0.108298 0.327883 0.083023 0.322254 0.003563 -0.019246 0.037855 -0.062536 -0.311381 -0.409503 0.067113 -0.005657 0.017660 0.002380 -0.081575 -0.070077 0.006221 0.045690 0.156521 0.085929 -0.092076 -0.223469 0.086009 -0.003662 0.185164 -0.037914 -0.053568 0.208523 -0.036473 -0.110910 -0.111405 -0.386127 0.312722 -0.229232 0.299334 -0.107837 -0.064143 0.100597 -0.040751 0.152235 -0.055932 -0.004079 -0.055562 0.010173 0.058308 0.076172 0.248709 0.020436 -0.100766 0.030872 -0.056513 -0.028019 -0.128383 0.003693 -0.018381 0.130691 -0.401612 -0.214141 0.094096 0.058336 0.068122 0.451797 -0.086120 0.129814 -0.374780 0.014422 -0.034883 -0.119573 0.288060 -0.338481 0.090720 0.029442 -0.061473 0.008167 0.050863 0.036437 -0.260365 -0.045507 -0.003614 0.009249 0.094879 -0.134619 0.091154 0.008385 0.138913 0.005129 0.011362 0.097301 0.092090 -0.048739 0.095924 -0.143376 0.005221 0.407913 -0.108475 -0.028995 0.339547 -0.207535 0.175457 -0.088677 0.067930 -0.165733 -0.289134 0.023419 -0.047747 -0.029440 -0.017394 -0.050961 0.185794 -0.046086 -0.025377 0.157820 0.079906 -0.024203 -0.160847 0.065627 -0.022988 0.183987 0.018764 0.104536 0.048821 0.116402 0.037472 -0.070921 0.147199 -0.178345 0.016369 -0.004971 0.001905 0.351073 0.023982 -0.019752 0.050238 -0.145850 0.211065 -0.027294 -0.098863 -0.077176 0.025903 0.014050 -0.003234 0.062080 0.037820 0.106340 0.355917 -0.131207 -0.037261 -0.219265 0.125356 0.072673 -0.022721 0.171151 0.076238 -0.869590 0.030908 -0.014712 0.111977 0.058384 -0.186295 -0.055977 0.074276 -0.055475 -0.037444 0.073690 0.068281 0.040758 -0.040150 0.004051 -0.060495 -0.041111 -0.039152 0.025023 -0.030177 0.032979 0.113468 -0.161674 0.066724 -0.025859 0.049747 -0.020548 -0.125641 0.076290 0.006270 0.033208 -0.145761 -0.036834 0.012722 0.120588 -0.105123 -0.176598 -0.092609 0.126403 -0.048431 0.124454 0.133283 -0.043827 0.000672 0.017266 -0.150499 -0.037963 -0.008059 -0.018105 -0.037139 -0.037218 0.050758 -0.635174 0.087487 0.816330 -0.086692 0.201670 0.104911 -0.545308 -0.436918 -0.175070 0.063686 0.035543 -0.047356 0.106137 -0.037119 -0.114927 0.044548 0.033505 -0.011949 0.089780 -0.066389 -0.048995 0.011841 0.068030 -0.259546 0.017944 0.037326 0.029699 -0.037440 -0.021897 0.023385 0.571804 0.402040 0.179193 0.071315 -0.077218 -0.132660 0.328535 0.061229 0.232980 -0.057989 0.019443 -0.008907 -0.055749 -0.297685 -0.407389 -0.068150 0.077309 0.065538 -0.075609 -0.027215 -0.052766 0.001840 0.047671 0.228118 -0.066457 -0.023457 -0.135652 0.051207 0.026431 0.199567 0.011124 -0.033202 0.096845 0.025166 -0.202939 -0.256716 -0.380403 0.285128 -0.202074 0.224486 -0.015882 -0.073978 0.095364 -0.032623 0.161405 -0.050635 0.046980 0.025860 0.029048 0.060882 0.014234 0.236296 0.023416 -0.094793 0.035643 -0.070808 0.034292 -0.102152 0.007197 -0.047524 0.094938 -0.402474 -0.240164 0.022773 0.124050 -0.018865 0.456459 -0.081411 0.164698 -0.324430 -0.021392 -0.056349 -0.114261 0.275361 -0.334255 0.072243 -0.070461 -0.083716 -0.026552 0.021153 0.117698 -0.249998 -0.044798 0.026858 0.015589 0.048945 -0.098005 0.091738 -0.050509 0.134207 0.019310 0.036348 0.032717 0.040979 -0.026515 -0.044468 -0.110619 0.010244 0.392904 -0.096586 -0.041337 0.207068 -0.180003 0.065309 -0.204515 0.130618 -0.050720 -0.407477 0.055054 0.061931 -0.010907 -0.011189 -0.061411 0.190271 -0.036869 -0.009180 0.038224 -0.008210 -0.092445 -0.188258 0.055626 0.004543 0.096926 0.013554 0.034550 0.032904 0.107893 0.031588 -0.032820 0.144930 -0.180070 0.023256 0.039363 0.001862 0.166677 0.010210 -0.055778 0.041008 -0.222866 0.256918 -0.041729 0.029518 -0.018299 0.052312 0.000057 -0.004627 -0.005067 0.042309 0.114164 0.349946 -0.116133 -0.033823 -0.220443 0.035274 0.020195 0.048985 0.145614 0.068977 -0.833025 0.023290 -0.010233 0.028899 0.051794 -0.107507 -0.048596 0.100965 -0.009743 0.030519 0.019381 0.037652 -0.113319 -0.056018 -0.022386 -0.022481 -0.011295 -0.030877 -0.018910 -0.037478 0.009818 0.046424 -0.152288 0.061312 0.027517 0.046794 0.007601 -0.062783 0.021672 0.002263 -0.027798 -0.079984 -0.029462 0.012027 0.074742 -0.094286 -0.183383 -0.000486 0.060982 -0.043377 0.081149 -0.006018 -0.037143 0.006421 -0.013708 -0.061025 -0.077745 -0.028621 0.025056 -0.000267 -0.003609 0.032417 -0.813256 0.120655 0.843883 -0.123812 0.195209 0.097677 -0.531417 -0.364402 -0.158705 -0.018238 0.006650 -0.003079 0.143213 -0.014693 -0.128189 0.032979 0.027656 0.039232 0.047104 -0.074173 -0.048220 -0.006486 0.062839 -0.247927 0.040387 0.052043 0.041432 -0.015359 -0.009002 0.025971 0.766551 0.290825 0.196567 0.092611 -0.051951 -0.052484 0.241940 -0.057129 0.190369 0.030936 0.048071 0.023794 -0.091429 -0.306676 -0.446853 -0.040106 0.071509 0.072268 -0.051268 0.027783 0.020133 0.028779 0.059652 0.280197 -0.041987 -0.073057 -0.006527 -0.001493 0.022977 0.165666 -0.049891 -0.019342 0.124920 0.039493 -0.173519 -0.119229 -0.376492 0.223979 -0.168588 0.122753 -0.003958 -0.026669 0.118364 -0.062776 0.190226 -0.039409 0.012881 0.055462 0.023000 0.063649 -0.053777 0.236723 0.025923 -0.083752 0.008350 -0.034383 0.056154 -0.065315 -0.009424 -0.014701 0.198678 -0.287147 -0.248479 -0.014187 0.064075 0.003028 0.467762 0.013447 0.211410 -0.169611 -0.022523 -0.019347 -0.137909 0.285579 -0.333678 0.044517 -0.054154 -0.045132 -0.035773 -0.019889 0.133061 -0.244233 -0.050722 -0.076375 0.017249 0.108126 0.076395 0.067805 -0.050212 0.165330 0.019719 0.040317 0.030955 0.041441 -0.022464 -0.045496 -0.109243 0.008699 0.396319 -0.095229 -0.041420 0.199199 -0.181188 0.064208 -0.208257 0.131628 -0.041444 -0.425229 0.057158 0.062868 -0.014426 -0.010131 -0.064673 0.193437 -0.036746 -0.007532 0.033130 -0.006986 -0.096084 -0.188241 0.052224 0.004859 0.094050 0.011663 0.030620 0.031848 0.105720 0.027989 -0.037503 0.152439 -0.184007 0.023147 0.038070 0.005085 0.153137 0.009334 -0.053100 0.040660 -0.226734 0.260090 -0.044326 0.034384 -0.016857 0.053413 0.000198 -0.004799 -0.007275 0.037434 0.113068 0.349300 -0.115319 -0.037001 -0.225695 0.032049 0.019580 0.053499 0.139279 0.068422 -0.831656 0.020045 -0.010447 0.026329 0.050237 -0.101429 -0.051868 0.104477 -0.008556 0.033416 0.017587 0.030887 -0.118227 -0.057496 -0.025068 -0.021476 -0.010208 -0.031074 -0.020435 -0.037337 0.009441 0.045403 -0.147612 0.064124 0.031759 0.045626 0.003302 -0.063740 0.017593 0.002466 -0.033431 -0.077355 -0.027112 0.010188 0.073094 -0.093215 -0.184202 -0.000642 0.055977 -0.044683 0.079665 -0.010342 -0.035080 0.008704 -0.009562 -0.063747 -0.079696 -0.029715 0.022179 0.005597 -0.002049 0.027648 -0.787211 0.125677 0.839641 -0.118085 0.193415 0.102725 -0.513402 -0.373379 -0.157855 -0.019786 0.004861 -0.000818 0.144245 -0.016861 -0.128137 0.026574 0.021119 0.042415 0.045241 -0.070269 -0.047288 -0.005384 0.067482 -0.250133 0.039332 0.056155 0.045705 -0.018399 -0.008543 0.027799 0.740848 0.320564 0.197664 0.086213 -0.050655 -0.045463 0.228030 -0.062080 0.188961 0.031303 0.046731 0.024175 -0.093160 -0.314833 -0.422676 -0.034274 0.069653 0.053466 -0.049630 0.026763 0.021466 0.031588 0.060580 0.261074 -0.038966 -0.077508 0.051217 0.000997 0.021351 0.157385 -0.045945 -0.020335 0.128413 0.039779 -0.170651 -0.116431 -0.379395 0.235290 -0.167914 0.118338 -0.001000 -0.024194 0.121848 -0.061007 0.192925 -0.040105 0.016060 0.053405 0.023053 0.059991 -0.051652 0.237973 0.025159 -0.085613 0.007395 -0.033996 0.058458 -0.062746 -0.010656 -0.014551 0.193498 -0.318859 -0.246406 -0.015365 0.062053 0.003920 0.467221 0.014100 0.212721 -0.164867 -0.018832 -0.018814 -0.139626 0.290880 -0.335557 0.044963 -0.051800 -0.039167 -0.035500 -0.016634 0.135973 -0.244858 -0.051305 -0.084246 0.018000 0.111794 0.092193 0.066821 -0.054530 0.161192 0.020524 0.039986 0.026949 0.036114 -0.017946 -0.049052 -0.109285 0.007554 0.396095 -0.093177 -0.043277 0.190228 -0.183221 0.064655 -0.213817 0.130544 -0.042465 -0.431362 0.057404 0.068388 -0.013001 -0.010294 -0.064960 0.193990 -0.035869 -0.004708 0.024276 -0.007620 -0.095690 -0.189133 0.050668 0.006338 0.089690 0.009888 0.025794 0.028919 0.101840 0.025983 -0.036742 0.154006 -0.182822 0.023968 0.039783 0.006120 0.144351 0.008401 -0.053732 0.042089 -0.226791 0.260333 -0.044796 0.041670 -0.013555 0.055598 -0.000890 -0.004949 -0.011223 0.035753 0.113125 0.350991 -0.114132 -0.037770 -0.226637 0.026375 0.016473 0.055929 0.139446 0.068470 -0.831532 0.018910 -0.009936 0.023828 0.049415 -0.100043 -0.050369 0.105869 -0.005951 0.036065 0.014621 0.028525 -0.121964 -0.057809 -0.027436 -0.019062 -0.008692 -0.030519 -0.022006 -0.036821 0.007880 0.043785 -0.147864 0.064460 0.032257 0.045560 0.003375 -0.063450 0.014583 0.002663 -0.033064 -0.072059 -0.024533 0.011230 0.072947 -0.093340 -0.184259 -0.000456 0.055955 -0.043832 0.075639 -0.017637 -0.033043 0.008875 -0.009759 -0.062859 -0.082048 -0.030850 0.025041 0.008126 -0.000001 0.025783 -0.787641 0.125659 0.840013 -0.118551 0.195478 0.103436 -0.522870 -0.373486 -0.156670 -0.022920 0.004097 0.001435 0.144111 -0.017057 -0.128157 0.025532 0.022303 0.045142 0.044604 -0.071519 -0.048594 -0.005545 0.067389 -0.250562 0.040309 0.057193 0.046351 -0.018683 -0.008438 0.028515 0.741081 0.325144 0.198764 0.086720 -0.048398 -0.043320 0.238212 -0.062678 0.186706 0.034397 0.046903 0.024454 -0.092828 -0.315370 -0.413675 -0.029492 0.070347 0.044015 -0.049031 0.025916 0.022833 0.031516 0.060750 0.262893 -0.038009 -0.079195 0.054146 0.000159 0.020133 0.159812 -0.045427 -0.020117 0.129051 0.037148 -0.171877 -0.110556 -0.380269 0.235273 -0.166410 0.120036 -0.000972 -0.022629 0.121799 -0.061042 0.192837 -0.042157 0.016482 0.054449 0.022306 0.060526 -0.052719 0.237754 0.025225 -0.085333 0.006825 -0.032785 0.058862 -0.063908 -0.011980 -0.013878 0.194230 -0.323949 -0.246645 -0.012796 0.059912 0.004647 0.467964 0.014763 0.215316 -0.159298 -0.019329 -0.015391 -0.139666 0.291221 -0.335669 0.048488 -0.051528 -0.037582 -0.036365 -0.017969 0.139715 -0.244805 -0.051472 -0.083333 0.019567 0.114501 0.094057 0.067569 -0.054255 0.163812 0.023039 0.039381 0.022315 0.031267 -0.007316 -0.058648 -0.109441 0.009179 0.397697 -0.088999 -0.045386 0.170751 -0.182768 0.062473 -0.225253 0.131167 -0.041355 -0.444372 0.059666 0.080522 -0.010101 -0.010152 -0.065643 0.195513 -0.034892 -0.001509 0.009603 -0.008179 -0.095332 -0.191096 0.047597 0.008476 0.080279 0.010495 0.017783 0.028327 0.095987 0.027123 -0.032461 0.154392 -0.185369 0.024877 0.042523 0.004679 0.130050 0.007069 -0.054531 0.043144 -0.224697 0.261146 -0.045341 0.057087 -0.006405 0.059729 -0.002234 -0.005691 -0.019088 0.038064 0.114037 0.348951 -0.113849 -0.036678 -0.228523 0.016311 0.009797 0.060869 0.140592 0.068695 -0.831690 0.017486 -0.009482 0.013357 0.051406 -0.101005 -0.050543 0.109570 -0.000476 0.041063 0.010513 0.022679 -0.128235 -0.057740 -0.032511 -0.014396 -0.005590 -0.029642 -0.025465 -0.036180 0.004892 0.034439 -0.148719 0.063731 0.032100 0.046010 0.003685 -0.062277 0.007342 0.002808 -0.033224 -0.061965 -0.021699 0.011719 0.073237 -0.093745 -0.184518 0.000303 0.055598 -0.043008 0.066316 -0.033382 -0.033400 0.008317 -0.010334 -0.063778 -0.086568 -0.032907 0.030520 0.012693 0.005565 0.022317 -0.787058 0.125108 0.839503 -0.120457 0.190622 0.100166 -0.507780 -0.374631 -0.153821 -0.034267 -0.001676 0.007886 0.144357 -0.017346 -0.127699 0.028416 0.022097 0.049136 0.037628 -0.072595 -0.049953 -0.004868 0.067951 -0.253799 0.042779 0.061542 0.047090 -0.015298 -0.006780 0.028410 0.740025 0.318539 0.199299 0.084094 -0.044729 -0.033132 0.221028 -0.064883 0.183994 0.048005 0.048227 0.029128 -0.093470 -0.314520 -0.427886 -0.034013 0.070040 0.055321 -0.044138 0.030964 0.032880 0.031309 0.061210 0.266826 -0.036340 -0.075821 0.080399 -0.007446 0.013683 0.153876 -0.042942 -0.018333 0.129507 0.033172 -0.159958 -0.083497 -0.379252 0.236500 -0.164610 0.095183 0.004936 -0.015649 0.122456 -0.060960 0.191718 -0.039949 0.011809 0.056191 0.021398 0.058593 -0.061385 0.237469 0.024631 -0.085306 0.001093 -0.028894 0.060984 -0.054510 -0.014380 -0.010557 0.193215 -0.316601 -0.249038 -0.013953 0.050340 0.005901 0.467312 0.016322 0.213485 -0.124404 -0.018720 -0.006438 -0.140070 0.289956 -0.335483 0.044350 -0.049413 -0.034034 -0.038009 -0.021265 0.141999 -0.244091 -0.051925 -0.081442 0.020314 0.109951 0.112245 0.062237 -0.051445 0.155578 0.026393 0.036847 -0.003069 0.016665 0.013383 -0.071500 -0.109353 0.004081 0.397392 -0.080139 -0.052425 0.131594 -0.188620 0.064059 -0.248666 0.128112 -0.043284 -0.472541 0.059750 0.102970 -0.004455 -0.010209 -0.065975 0.197865 -0.032928 0.005916 -0.026121 -0.011086 -0.093327 -0.194808 0.042877 0.014778 0.062158 0.004211 -0.002844 0.020112 0.082749 0.018394 -0.030662 0.161721 -0.182214 0.027633 0.052029 0.010238 0.096311 0.005031 -0.055463 0.046624 -0.225393 0.262053 -0.047228 0.082975 0.006509 0.068996 -0.005838 -0.007426 -0.034300 0.031427 0.112507 0.352332 -0.108733 -0.040891 -0.233935 -0.002945 -0.001845 0.069599 0.141449 0.069279 -0.831277 0.013859 -0.010085 -0.002422 0.049966 -0.095183 -0.046182 0.116772 0.010139 0.050932 0.002381 0.013483 -0.140296 -0.059066 -0.042027 -0.003310 0.000033 -0.026615 -0.030252 -0.033674 -0.000342 0.022582 -0.148255 0.066325 0.034036 0.046388 0.004115 -0.060836 -0.007675 0.003525 -0.030746 -0.041708 -0.017295 0.012835 0.073502 -0.094425 -0.185438 0.002359 0.055817 -0.040668 0.051664 -0.064662 -0.027042 0.010454 -0.010869 -0.061552 -0.095936 -0.036535 0.043307 0.020871 0.013045 0.014797 -0.786032 0.123847 0.839454 -0.123466 0.181687 0.095571 -0.529822 -0.365981 -0.148728 -0.051115 -0.008599 0.018309 0.144226 -0.017053 -0.126847 0.029164 0.021105 0.055577 0.027182 -0.068607 -0.049029 -0.007697 0.069294 -0.249716 0.046072 0.070065 0.040631 -0.014053 -0.004650 0.029204 0.739264 0.340511 0.204077 0.079737 -0.035232 -0.013668 0.246439 -0.069103 0.172637 0.067052 0.045872 0.033581 -0.091943 -0.317959 -0.393249 -0.028108 0.069538 0.017717 -0.036302 0.036183 0.046748 0.033613 0.062102 0.275021 -0.031873 -0.077108 0.114148 -0.012109 0.006996 0.150972 -0.040661 -0.015218 0.133488 0.025381 -0.140992 -0.042542 -0.383174 0.229303 -0.160365 0.057881 0.006815 -0.002171 0.123622 -0.061469 0.190597 -0.041791 0.003806 0.063120 0.020608 0.051240 -0.070629 0.237531 0.024467 -0.084243 -0.006739 -0.020801 0.064250 -0.044557 -0.018079 -0.007283 0.197035 -0.339313 -0.252069 -0.006723 0.038664 0.012279 0.470949 0.020597 0.215307 -0.063681 -0.015735 0.012182 -0.140041 0.292306 -0.337807 0.046181 -0.046579 -0.027762 -0.040780 -0.024312 0.149848 -0.243679 -0.052163 -0.076311 0.018806 0.105606 0.133614 0.051520 -0.044784 0.152284 0.034729 0.037355 -0.030848 -0.012445 0.050751 -0.108693 -0.109170 0.006673 0.396891 -0.066185 -0.061733 0.051836 -0.198295 0.061039 -0.300395 0.125477 -0.048937 -0.532501 0.058560 0.150932 0.007227 -0.010998 -0.065637 0.200869 -0.030216 0.009512 -0.081963 -0.017660 -0.090370 -0.202427 0.037445 0.027209 0.026963 0.004529 -0.042947 0.003441 0.065721 0.017558 -0.018531 0.167850 -0.172005 0.029709 0.071692 0.009485 0.033672 -0.000136 -0.063366 0.051843 -0.225938 0.263045 -0.050055 0.141169 0.034045 0.086822 -0.014058 -0.011535 -0.060188 0.035535 0.111598 0.358798 -0.105071 -0.045482 -0.243537 -0.049702 -0.029123 0.087248 0.144031 0.069417 -0.830196 0.009024 -0.007323 -0.046143 0.047957 -0.094389 -0.036312 0.131868 0.032835 0.070390 -0.013780 -0.004978 -0.162989 -0.061009 -0.061542 0.016246 0.013403 -0.021161 -0.041394 -0.032321 -0.013287 -0.017257 -0.148566 0.063829 0.034504 0.048034 0.006156 -0.056991 -0.035771 0.006780 -0.025323 -0.000303 -0.005540 0.013851 0.073398 -0.095168 -0.186197 0.007943 0.056523 -0.035678 0.021878 -0.122460 -0.026067 0.008571 -0.012982 -0.055495 -0.116986 -0.044973 0.067614 0.039074 0.032724 0.004548 -0.787637 0.121879 0.839693 -0.133110 0.158475 0.092148 -0.572599 -0.355971 -0.134871 -0.087565 -0.022028 0.039592 0.144528 -0.018656 -0.127682 0.034821 0.020863 0.072301 0.001871 -0.073091 -0.050589 -0.005708 0.068526 -0.250195 0.057658 0.090477 0.032152 -0.000687 0.001678 0.030959 0.738858 0.319965 0.209792 0.080165 -0.022103 0.023324 0.297543 -0.074010 0.155311 0.111117 0.057764 0.047469 -0.090739 -0.314399 -0.411056 -0.022698 0.067785 0.014177 -0.020355 0.062645 0.082618 0.031068 0.063202 0.288528 -0.026207 -0.072230 0.207458 -0.037188 -0.006537 0.129921 -0.028900 -0.007003 0.138353 0.017533 -0.101942 0.049109 -0.383557 0.218822 -0.141528 -0.054740 0.011080 0.014435 0.124899 -0.059723 0.185519 -0.036028 -0.018013 0.079384 0.017248 0.054180 -0.095163 0.238506 0.025815 -0.083853 -0.024070 -0.012132 0.073206 -0.024693 -0.029601 0.004669 0.195531 -0.319134 -0.258855 -0.009675 0.008693 0.017447 0.473985 0.027267 0.218687 0.085300 -0.019897 0.053437 -0.141216 0.292216 -0.336865 0.031293 -0.038879 -0.016916 -0.045640 -0.040287 0.158766 -0.243682 -0.052098 -0.071212 0.017861 0.086945 0.192357 0.037631 -0.033071 0.134684 0.033855 0.038303 -0.012387 0.001945 0.034263 -0.095533 -0.110014 0.018027 0.405426 -0.070818 -0.056532 0.082276 -0.185720 0.058798 -0.280203 0.129484 -0.041827 -0.507405 0.058054 0.133035 0.000916 -0.009949 -0.065726 0.199249 -0.030551 0.003519 -0.050194 -0.013133 -0.091660 -0.198731 0.039761 0.021688 0.040012 0.015608 -0.026093 0.020948 0.070324 0.030363 -0.022542 0.165423 -0.187973 0.029203 0.060829 0.000386 0.057830 0.001858 -0.060333 0.050501 -0.221330 0.263638 -0.048317 0.119399 0.023917 0.077077 -0.010334 -0.010195 -0.051077 0.047968 0.113698 0.345925 -0.108997 -0.039022 -0.238301 -0.034320 -0.018347 0.080976 0.143866 0.069544 -0.831232 0.011623 -0.007313 -0.037996 0.055801 -0.101974 -0.047162 0.125648 0.024733 0.063352 -0.008956 0.001397 -0.156967 -0.058443 -0.054015 0.007135 0.007926 -0.023788 -0.038137 -0.034617 -0.009356 -0.009697 -0.149846 0.060327 0.034745 0.046928 0.005869 -0.058395 -0.023706 0.005923 -0.028341 -0.015508 -0.009737 0.012526 0.073742 -0.094859 -0.185749 0.004347 0.056121 -0.039087 0.033535 -0.100000 -0.037415 0.004094 -0.012335 -0.063993 -0.107932 -0.041671 0.057028 0.031170 0.026119 0.009267 -0.787568 0.123396 0.839144 -0.131231 0.162525 0.093867 -0.490619 -0.362046 -0.140613 -0.077828 -0.021250 0.033061 0.144463 -0.017537 -0.128128 0.035360 0.021235 0.066715 0.009695 -0.074002 -0.048497 -0.003526 0.068208 -0.256028 0.055760 0.079558 0.040307 -0.000596 -0.000535 0.029752 0.738745 0.329051 0.207346 0.081232 -0.028297 0.010198 0.202438 -0.073311 0.172691 0.098837 0.057699 0.042369 -0.094246 -0.310965 -0.466697 -0.035004 0.068873 0.080023 -0.025478 0.057952 0.070058 0.029376 0.062713 0.282470 -0.031899 -0.069843 0.182064 -0.033050 -0.001643 0.126542 -0.033944 -0.010598 0.136196 0.023402 -0.111489 0.018657 -0.381185 0.227428 -0.152310 -0.019359 0.011313 0.015678 0.123357 -0.059973 0.187095 -0.035252 -0.012524 0.075423 0.018508 0.055772 -0.089117 0.238051 0.025678 -0.085393 -0.018978 -0.009643 0.073427 -0.030427 -0.024229 0.001207 0.188392 -0.326979 -0.253119 -0.011663 0.018448 0.013920 0.468374 0.024557 0.218700 0.030776 -0.021984 0.037045 -0.138750 0.286514 -0.338909 0.032936 -0.042629 -0.020996 -0.045081 -0.039005 0.153576 -0.244045 -0.052100 -0.073097 0.015597 0.091539 0.172833 0.045414 -0.038791 0.137009 -0.003785 -0.000859 0.007946 -0.011819 0.053380 0.008639 -0.105324 0.021409 0.395519 -0.005112 -0.010434 -0.025158 -0.181640 0.057017 -0.262364 0.114171 -0.043297 -0.478424 -0.059127 -0.061386 0.043381 -0.011902 -0.066739 0.203398 -0.008886 -0.008392 -0.043598 -0.005427 -0.081169 -0.195248 -0.006312 -0.003000 0.055645 -0.008322 -0.006509 0.001013 0.008270 0.002777 -0.008268 0.152157 -0.183200 0.057401 0.031754 0.010511 0.006890 0.005403 -0.007824 0.048390 -0.204635 0.250317 -0.031881 0.039930 -0.000904 0.042709 0.013081 0.004490 -0.041851 0.044973 0.114184 0.345194 -0.097115 -0.039717 -0.229706 -0.001165 -0.023987 0.068824 0.145829 0.070380 -0.833229 0.007162 0.007943 -0.045881 0.042636 -0.091690 -0.043055 0.011959 0.025576 0.069955 -0.027326 -0.007616 -0.073940 -0.020780 0.021382 -0.007168 0.027109 -0.001524 -0.002477 0.014214 -0.013486 -0.025274 -0.150637 0.057267 0.032814 0.049200 0.009864 -0.065836 -0.020708 -0.000463 0.000298 0.009253 -0.048880 -0.009676 0.070183 -0.097428 -0.181335 -0.005711 0.047559 -0.042170 0.025648 -0.045811 0.002371 0.000558 -0.016606 -0.076050 -0.001435 -0.002532 0.028065 -0.000158 0.009763 0.024055 -0.782699 0.116899 0.847834 -0.064859 0.074091 0.044009 -0.502348 -0.366426 -0.112860 -0.057242 0.009235 0.026978 0.141393 -0.013308 -0.122347 0.021668 0.031166 0.037441 -0.014404 -0.018575 -0.027676 -0.007277 0.069436 -0.262732 -0.008831 0.040351 0.056363 -0.032997 -0.005342 0.008743 0.739290 0.289744 0.225677 0.046588 0.037260 0.108975 0.221501 -0.074742 0.169327 0.061928 0.016338 0.048657 -0.087931 -0.314070 -0.461920 -0.007637 -0.007719 0.023864 0.002155 0.010046 0.032737 0.035046 0.064353 0.281367 0.041282 -0.045411 0.097492 0.019835 -0.012472 0.092739 -0.018342 -0.004532 0.168004 0.004674 -0.070894 0.129507 -0.382636 0.235230 -0.141849 -0.017964 -0.002310 -0.008088 0.123808 -0.062128 0.177834 -0.043258 -0.055429 0.048582 0.001921 0.019950 -0.066641 0.237914 0.024209 -0.083457 0.006955 -0.027949 0.026192 0.016979 0.000795 0.010511 0.179587 -0.283123 -0.237671 0.015201 0.027351 0.047473 0.469369 0.022791 0.209832 0.120270 0.026710 0.036260 -0.140166 0.287873 -0.332738 0.050596 0.038455 -0.009643 -0.003978 0.015500 0.085158 -0.243475 -0.052610 -0.093502 0.007360 0.056812 0.106709 -0.025437 0.002083 0.092939 -0.019772 -0.017066 0.018734 -0.021832 0.062525 0.058411 -0.103708 0.026021 0.394113 0.027943 0.009569 -0.080265 -0.178325 0.057006 -0.256110 0.106673 -0.044165 -0.465972 -0.121551 -0.147027 0.061897 -0.012699 -0.066670 0.204246 0.000180 -0.012885 -0.034290 -0.001637 -0.076540 -0.193966 -0.025675 -0.015383 0.064010 -0.015519 0.001220 -0.004332 -0.019514 -0.005206 -0.004001 0.149022 -0.183248 0.070432 0.016830 0.013057 -0.017879 0.006170 0.015496 0.048162 -0.197108 0.243923 -0.024998 0.003685 -0.013867 0.025330 0.023015 0.010989 -0.038411 0.047483 0.113139 0.343053 -0.091101 -0.040355 -0.226096 0.013864 -0.027119 0.063297 0.146662 0.070611 -0.834061 0.005499 0.015263 -0.052467 0.038001 -0.088442 -0.042858 -0.042957 0.025304 0.072604 -0.037021 -0.012187 -0.037443 -0.002670 0.060648 -0.014149 0.035403 0.008079 0.014311 0.035985 -0.016785 -0.034742 -0.150722 0.054731 0.033062 0.049909 0.011495 -0.069509 -0.019024 -0.003308 0.011602 0.019893 -0.067477 -0.020420 0.068753 -0.098955 -0.179689 -0.010790 0.043712 -0.044436 0.022412 -0.022420 0.016951 -0.002427 -0.018624 -0.082252 0.044387 0.015020 0.015021 -0.015704 0.002215 0.030193 -0.780918 0.114312 0.850572 -0.023703 0.029679 0.028038 -0.495635 -0.363967 -0.101291 -0.051235 0.018958 0.024252 0.139735 -0.012034 -0.120519 0.016964 0.036434 0.023098 -0.028397 0.003995 -0.015041 -0.008767 0.069969 -0.263269 -0.036611 0.020437 0.060614 -0.044721 -0.004664 -0.001274 0.739834 0.282653 0.234176 0.033979 0.066237 0.153589 0.216598 -0.076327 0.169357 0.043447 -0.002690 0.046541 -0.086075 -0.314907 -0.475820 0.000762 -0.038616 0.017015 0.016550 -0.008773 0.016052 0.036798 0.065425 0.281024 0.069909 -0.032549 0.065227 0.040841 -0.018075 0.066907 -0.013075 -0.002570 0.183183 -0.002736 -0.039838 0.185634 -0.383809 0.235074 -0.140820 -0.019007 -0.007849 -0.014439 0.123626 -0.062573 0.173564 -0.046251 -0.075962 0.037021 -0.005020 0.005621 -0.054839 0.238140 0.023133 -0.083150 0.015617 -0.033229 0.007878 0.040433 0.011799 0.016002 0.174199 -0.274652 -0.230454 0.024094 0.028609 0.060871 0.468790 0.022185 0.205717 0.171924 0.047906 0.033267 -0.139689 0.287213 -0.331179 0.056039 0.073231 -0.002901 0.014649 0.040462 0.052063 -0.244004 -0.053528 -0.101081 0.003070 0.040098 0.077759 -0.048356 0.017079 0.079574 -0.020391 -0.005257 0.040380 0.018782 -0.028597 0.073961 -0.102130 0.033607 0.393246 0.021821 -0.004523 0.108462 -0.175448 0.072585 -0.201743 0.119771 -0.053747 -0.427048 0.226598 0.038915 0.038351 -0.012818 -0.069524 0.205736 0.002141 -0.003441 0.005610 0.005569 -0.089710 -0.180325 -0.011853 -0.001505 0.054981 -0.018235 0.013434 0.005865 -0.012725 -0.007610 0.040836 0.151426 -0.186348 0.075558 -0.003486 0.013458 0.026320 0.007514 0.012880 0.045196 -0.197048 0.246258 -0.009412 -0.019121 0.002708 -0.004305 0.003420 0.001383 0.012952 0.052431 0.113816 0.339137 -0.094407 -0.036086 -0.210878 -0.001307 -0.010150 0.042112 0.148184 0.069761 -0.834668 -0.000505 0.005159 -0.007372 0.036242 -0.091877 -0.043919 -0.007929 0.019167 0.067828 -0.009895 0.009939 0.038252 0.009341 -0.005725 -0.038759 0.014215 0.012419 0.006504 0.017415 -0.000412 -0.024473 -0.152801 0.049650 0.027517 0.049768 0.012809 -0.078313 0.004570 -0.008098 0.050854 0.010548 -0.045378 -0.015784 0.067779 -0.099720 -0.179205 -0.024785 0.046499 -0.053992 0.015945 -0.031914 0.040146 -0.008073 -0.020097 -0.087091 -0.000752 -0.011101 0.002281 -0.010016 -0.011683 0.007329 -0.769990 0.117924 0.837597 0.009707 -0.008211 0.017452 -0.491390 -0.369016 -0.078104 0.009335 0.017028 -0.006628 0.138317 -0.008794 -0.118582 -0.000697 0.024496 -0.016088 -0.004888 0.002216 0.017387 -0.011119 0.071052 -0.272765 0.014483 -0.000095 0.053344 -0.022080 0.011359 -0.018514 0.734031 0.273311 0.262754 -0.012867 0.026410 0.058647 0.214137 -0.075382 0.189915 -0.017965 -0.024270 0.028208 -0.084170 -0.314464 -0.499734 -0.000300 0.005163 0.041637 0.004816 0.005713 -0.015903 0.037403 0.069082 0.277528 -0.005639 0.014424 -0.009370 0.029368 -0.008516 0.039560 -0.010300 -0.004786 0.149407 0.016957 0.048059 0.078756 -0.387025 0.237200 -0.131957 -0.103013 -0.025251 0.004006 0.121902 -0.061136 0.170458 -0.053009 -0.032318 0.001262 -0.003671 0.013285 -0.012607 0.237306 0.022911 -0.082160 0.009931 -0.015636 -0.006711 0.041178 0.003796 0.019997 0.171301 -0.259886 -0.225203 0.006518 -0.042902 0.042025 0.471408 0.019822 0.204184 -0.019798 0.018091 0.016703 -0.137391 0.285452 -0.327583 0.043327 0.011214 0.012111 0.002150 0.007272 0.011959 -0.244077 -0.056970 -0.110599 0.001643 0.038045 -0.007705 -0.035584 0.012362 0.053196 -0.020221 -0.003808 0.043166 0.025470 -0.048441 0.075184 -0.102202 0.033900 0.391663 0.020720 -0.007196 0.139204 -0.175917 0.076854 -0.193637 0.121693 -0.056874 -0.421499 0.286099 0.075709 0.033882 -0.013307 -0.069811 0.204810 0.003602 -0.000539 0.014813 0.006710 -0.092201 -0.179302 -0.011695 0.000317 0.052842 -0.019196 0.014321 0.005418 -0.014303 -0.009176 0.046599 0.152928 -0.185902 0.075941 -0.006418 0.013275 0.032383 0.007694 0.013811 0.043310 -0.198124 0.246649 -0.008080 -0.022773 0.004872 -0.010779 -0.000338 -0.000319 0.020858 0.052246 0.112685 0.338756 -0.094740 -0.036719 -0.209395 -0.003564 -0.006714 0.038006 0.148104 0.069400 -0.835297 -0.001786 0.002833 0.000188 0.035329 -0.091848 -0.044299 -0.001816 0.017807 0.066716 -0.005075 0.012884 0.050115 0.011404 -0.018229 -0.043698 0.009978 0.013190 0.004787 0.014138 0.002284 -0.023070 -0.152716 0.048805 0.026124 0.049866 0.012658 -0.080754 0.008603 -0.009028 0.056378 0.008923 -0.042178 -0.015845 0.067600 -0.100102 -0.180002 -0.027367 0.046827 -0.056472 0.014034 -0.033524 0.044384 -0.008726 -0.020342 -0.087618 -0.009413 -0.015801 -0.001073 -0.009491 -0.013589 0.002190 -0.768389 0.118069 0.834973 0.010226 -0.007691 0.015935 -0.498607 -0.365430 -0.076412 0.012105 0.016003 -0.009992 0.138263 -0.008758 -0.118016 -0.003768 0.024497 -0.021598 -0.001768 0.001897 0.019739 -0.012871 0.071832 -0.270285 0.018097 -0.002770 0.049490 -0.023232 0.012741 -0.021098 0.733092 0.274766 0.265583 -0.013697 0.019640 0.046796 0.222262 -0.076237 0.193056 -0.022559 -0.028646 0.026251 -0.084113 -0.315130 -0.501035 0.002876 0.010248 0.042726 0.003782 0.004962 -0.019272 0.038198 0.070183 0.277493 -0.014139 0.017162 -0.017652 0.032344 -0.006140 0.048038 -0.011397 -0.005452 0.143324 0.017769 0.059480 0.066007 -0.387663 0.233270 -0.133030 -0.120108 -0.028216 0.006171 0.121846 -0.060684 0.169584 -0.055783 -0.029719 -0.003101 -0.003420 0.014520 -0.013992 0.236596 0.022212 -0.081495 0.009003 -0.014347 -0.010268 0.043946 0.001230 0.020657 0.172456 -0.260762 -0.224659 0.007305 -0.054685 0.040854 0.471909 0.020054 0.203658 -0.043538 0.019478 0.012139 -0.137416 0.285533 -0.326740 0.045927 0.003491 0.011496 -0.001460 0.005761 0.011505 -0.243871 -0.058238 -0.110221 0.001469 0.046724 -0.017315 -0.037627 0.012413 0.053803 0.008083 0.017423 0.076581 0.011121 -0.008748 0.022240 -0.100791 0.042578 0.392910 -0.012232 -0.012634 0.070358 -0.161404 0.089117 -0.145875 0.132776 -0.063748 -0.381263 -0.210386 0.078433 0.002203 -0.012909 -0.072707 0.207941 0.001186 0.015186 0.036350 -0.000870 -0.097927 -0.161579 -0.002692 0.009529 0.044546 0.006392 0.015890 0.006394 0.007786 0.006115 0.047626 0.142705 -0.187621 0.078508 -0.007506 0.000120 0.067314 0.008007 -0.005603 0.035195 -0.205357 0.240777 0.003558 0.010465 -0.024841 0.006153 -0.005777 -0.010457 0.013148 0.056321 0.114855 0.333232 -0.101514 -0.033764 -0.191158 -0.003262 0.030946 0.032414 0.149772 0.067808 -0.831425 -0.013888 0.001009 0.025981 0.044982 -0.095643 -0.027209 0.023492 -0.023649 0.036652 0.029840 0.015404 0.049599 0.038765 -0.049052 -0.026079 0.007755 -0.002860 0.020139 -0.014430 0.009906 0.002079 -0.154406 0.044042 0.023370 0.049299 0.014401 -0.081438 0.010182 -0.011452 0.043443 -0.013210 0.006855 0.022099 0.066263 -0.098557 -0.169743 -0.027906 0.048960 -0.055695 0.003399 -0.006763 0.032608 -0.012768 -0.021786 -0.087868 -0.005476 0.012816 0.001509 0.013496 -0.008009 -0.010585 -0.755164 0.127365 0.839325 -0.001521 -0.046528 0.014021 -0.471385 -0.369995 -0.050250 0.052104 -0.024011 -0.022222 0.139693 -0.003653 -0.119565 -0.005990 -0.006291 -0.018274 0.025105 -0.018217 0.030758 -0.013439 0.073814 -0.286458 0.036800 -0.005845 0.006473 0.003211 0.002513 -0.002464 0.721646 0.260902 0.294812 0.005542 0.002212 -0.023274 0.192013 -0.072798 0.219189 -0.030782 -0.028279 0.019666 -0.084848 -0.315184 -0.529189 0.005020 0.021837 0.059157 -0.008856 0.021179 -0.020676 0.038270 0.072310 0.274543 -0.055284 0.018226 -0.044363 0.008541 0.007750 0.036541 -0.004962 -0.013628 0.160054 0.010493 0.090603 0.013683 -0.385988 0.236735 -0.102902 0.131994 0.005524 -0.001058 0.124701 -0.060851 0.170148 -0.039815 0.028006 -0.013658 -0.017530 0.027270 0.015400 0.239909 0.021421 -0.082523 -0.007009 0.014275 0.002057 0.018977 0.006384 0.017620 0.166110 -0.239439 -0.214225 -0.001615 -0.065345 0.012603 0.474192 0.019708 0.193756 0.064166 0.010812 0.035512 -0.139042 0.284612 -0.325294 0.033224 -0.029882 0.020123 0.027805 -0.032246 0.001507 -0.246518 -0.062031 -0.119177 0.010748 -0.014920 -0.054683 -0.015820 0.009329 0.029074 0.006152 0.015837 0.078052 0.014097 -0.011118 0.028592 -0.100758 0.038926 0.393015 -0.009190 -0.012893 0.078224 -0.163126 0.088287 -0.149012 0.131310 -0.062159 -0.384043 -0.173384 0.076705 0.006511 -0.012498 -0.072675 0.208222 0.000821 0.013391 0.033773 0.000027 -0.097409 -0.162583 -0.003439 0.008975 0.045633 0.003203 0.016192 0.006667 0.006065 0.002373 0.046660 0.144038 -0.189019 0.078709 -0.007696 0.004113 0.064505 0.008281 -0.004144 0.035660 -0.204343 0.241407 0.002550 0.008353 -0.023611 0.005029 -0.005258 -0.009680 0.013036 0.052501 0.115228 0.333451 -0.100062 -0.032890 -0.192200 -0.002834 0.029066 0.032820 0.149754 0.068346 -0.831958 -0.013091 0.001414 0.024595 0.044714 -0.093425 -0.030286 0.022066 -0.020404 0.038385 0.027001 0.015283 0.049103 0.037091 -0.047055 -0.027154 0.007864 -0.002026 0.018826 -0.012559 0.009603 0.000707 -0.154485 0.047238 0.024670 0.049026 0.014373 -0.081348 0.010346 -0.010764 0.044223 -0.011644 0.003091 0.019433 0.066323 -0.098823 -0.170493 -0.028287 0.049060 -0.055904 0.005552 -0.009000 0.037305 -0.010304 -0.021546 -0.088393 -0.006311 0.011848 0.001481 0.011948 -0.008075 -0.009716 -0.756215 0.127536 0.838851 -0.000974 -0.045066 0.013472 -0.470146 -0.370731 -0.052301 0.050572 -0.021874 -0.021322 0.139474 -0.003877 -0.120221 -0.006483 -0.005332 -0.018635 0.023569 -0.015945 0.030536 -0.012996 0.073925 -0.287067 0.037103 -0.007381 0.009249 0.001514 0.003316 -0.003423 0.722866 0.271338 0.292914 0.003793 0.000947 -0.020208 0.189631 -0.073519 0.216768 -0.031844 -0.027879 0.019628 -0.084762 -0.316688 -0.510068 0.004320 0.021088 0.043119 -0.008032 0.019483 -0.020471 0.037842 0.072234 0.274310 -0.054506 0.018165 -0.043309 0.010409 0.005815 0.034740 -0.005154 -0.013711 0.158776 0.009699 0.091822 0.015421 -0.387254 0.238402 -0.107604 0.117967 0.005047 0.003194 0.124436 -0.060718 0.170246 -0.041940 0.023867 -0.013707 -0.017703 0.024567 0.015921 0.239838 0.021378 -0.083061 -0.005600 0.015152 0.001508 0.019366 0.005475 0.016448 0.166959 -0.250660 -0.215218 -0.002047 -0.063488 0.014124 0.474689 0.019868 0.194130 0.056120 0.010474 0.034060 -0.138601 0.285526 -0.326551 0.035014 -0.028077 0.021536 0.026006 -0.029013 0.000774 -0.246233 -0.061480 -0.119626 0.009571 -0.012543 -0.051470 -0.017534 0.008518 0.027790 0.009525 0.017132 0.036908 -0.026447 0.041477 -0.054707 -0.102225 0.047819 0.393353 -0.019182 0.011906 -0.071047 -0.145240 0.095511 -0.128848 0.126516 -0.065864 -0.361575 0.017524 -0.029277 -0.013286 -0.012450 -0.076050 0.209888 -0.002319 0.009515 0.008254 -0.009732 -0.096028 -0.152286 0.000900 0.005209 0.022904 0.024903 -0.003456 0.009421 0.018699 0.011532 0.011500 0.131471 -0.189486 0.088723 0.009019 -0.006913 0.029624 0.004276 -0.005265 0.031282 -0.210175 0.231955 0.010661 0.013120 0.012092 0.020475 -0.012395 -0.001111 0.028760 0.056251 0.116948 0.328453 -0.102259 -0.028538 -0.177822 0.000327 0.011836 0.027363 0.151394 0.066351 -0.830464 -0.001144 0.003457 0.023850 0.054639 -0.095025 -0.003554 -0.020641 -0.008106 0.010845 0.003286 -0.003369 0.041188 0.014118 0.025656 0.012244 0.003331 -0.009412 -0.007621 -0.019006 0.007677 0.020123 -0.156736 0.040471 0.022130 0.048847 0.014291 -0.078957 -0.005705 -0.011329 -0.009232 0.006804 0.028084 0.041390 0.066488 -0.097278 -0.159533 -0.024317 0.044989 -0.039006 -0.024396 0.030645 0.000359 -0.015105 -0.022097 -0.087572 0.019881 -0.018310 0.003002 0.010746 0.004519 0.002946 -0.744656 0.136414 0.863055 0.009234 -0.068671 0.003937 -0.441816 -0.370776 -0.034975 0.035539 -0.026651 0.013073 0.140907 0.000123 -0.122437 -0.005565 -0.007587 0.009951 0.024617 -0.016866 0.023753 -0.014911 0.075736 -0.302148 0.000183 0.017926 -0.003414 -0.006853 0.001934 0.005700 0.710489 0.240181 0.316361 0.021050 0.043200 0.003591 0.160444 -0.071206 0.235581 -0.007287 -0.018847 0.029875 -0.085541 -0.317140 -0.554902 0.019181 -0.012822 0.053077 -0.007971 0.010594 0.011582 0.041577 0.074744 0.275405 -0.004043 -0.001542 -0.026839 0.005678 -0.000238 0.038922 -0.006694 -0.023961 0.186821 0.007545 0.011384 0.026782 -0.382121 0.238220 -0.083488 0.038661 0.036077 0.009202 0.127889 -0.063168 0.172883 0.002221 0.025417 -0.002746 -0.000138 0.017667 0.004877 0.243912 0.019802 -0.085327 -0.002076 0.000504 0.022664 0.011926 -0.007166 0.017710 0.165062 -0.214794 -0.201550 -0.007734 -0.036268 0.007006 0.472659 0.020644 0.188612 -0.029758 0.018816 0.053023 -0.141325 0.285019 -0.323875 0.018558 -0.004385 0.006603 0.005862 -0.024001 0.021058 -0.249320 -0.066334 -0.117440 0.003153 -0.043729 -0.031630 -0.011132 0.009589 0.029530 0.009913 0.018687 0.031332 -0.038129 0.056166 -0.076542 -0.102524 0.050312 0.394155 -0.021711 0.015356 -0.102613 -0.146051 0.100201 -0.124253 0.121673 -0.070562 -0.356144 0.065671 -0.059730 -0.020678 -0.012469 -0.073861 0.208486 -0.004603 0.008185 0.001923 -0.013329 -0.095070 -0.149184 0.002521 0.004117 0.018936 0.033994 -0.010897 0.005701 0.021041 0.015296 -0.001659 0.131762 -0.184775 0.092042 0.013926 -0.012549 0.017602 0.003403 -0.006030 0.028949 -0.216416 0.227785 0.012372 0.014001 0.020994 0.022977 -0.014237 0.001357 0.033104 0.061350 0.113036 0.331111 -0.099718 -0.030905 -0.176845 0.000680 0.007271 0.027345 0.151382 0.065809 -0.828484 0.002308 0.005078 0.023140 0.055610 -0.094386 0.005678 -0.031280 -0.005350 0.004705 -0.004458 -0.007037 0.038248 0.009800 0.043219 0.022858 0.001364 -0.009423 -0.012258 -0.021119 0.006659 0.024175 -0.154908 0.037476 0.024023 0.048439 0.014987 -0.078464 -0.010989 -0.011307 -0.022369 0.011842 0.035691 0.046620 0.066138 -0.096880 -0.156656 -0.022503 0.045058 -0.034168 -0.032601 0.041130 -0.009119 -0.017757 -0.022790 -0.083195 0.026320 -0.024595 0.005988 0.010402 0.007551 0.006605 -0.744400 0.139246 0.868915 0.012321 -0.075448 0.000618 -0.466582 -0.355910 -0.030052 0.032082 -0.028835 0.021066 0.141167 0.001789 -0.123618 -0.006277 -0.009652 0.016182 0.025146 -0.021281 0.022117 -0.018260 0.076837 -0.291290 -0.007455 0.021393 -0.022275 -0.003123 0.002916 0.008819 0.710477 0.247457 0.322891 0.024559 0.052527 0.006722 0.189235 -0.069396 0.237512 -0.001580 -0.015657 0.028923 -0.084821 -0.316333 -0.560680 0.025576 -0.021918 0.051697 -0.007218 0.012241 0.020270 0.043130 0.074979 0.278244 0.007754 -0.007740 -0.026184 -0.002153 -0.002219 0.035552 -0.005687 -0.026520 0.193525 0.004436 -0.010957 0.029125 -0.383923 0.223978 -0.080493 0.016566 0.043780 0.014219 0.128313 -0.064368 0.173355 0.014845 0.026464 0.000405 0.006493 0.018092 0.003096 0.244975 0.019248 -0.084470 -0.002103 0.001204 0.026537 0.005282 -0.010744 0.017286 0.165205 -0.222874 -0.197177 -0.008879 -0.027187 0.002966 0.474925 0.021289 0.190610 -0.047068 0.022234 0.058743 -0.140988 0.285991 -0.325914 0.013091 -0.000766 0.005523 -0.000646 -0.026349 0.028246 -0.250593 -0.067012 -0.116195 0.001409 -0.048695 -0.026431 -0.003969 0.012922 0.026174 0.000101 0.003291 -0.001372 -0.002315 -0.030028 -0.032616 -0.102807 0.059479 0.395687 -0.010050 0.024303 -0.022261 -0.143455 0.093353 -0.127082 0.116709 -0.058843 -0.363656 0.006071 -0.014392 0.013239 -0.011758 -0.075080 0.210772 0.001076 -0.008784 0.008949 -0.026290 -0.098911 -0.141112 -0.004993 -0.009826 -0.011864 0.017000 -0.016807 0.002718 0.018410 -0.006667 -0.011400 0.133555 -0.185532 0.106852 0.015248 0.000073 -0.041688 -0.001509 0.005904 0.014761 -0.214673 0.226869 0.021818 0.009010 0.010238 0.022180 0.004898 0.015910 0.014882 0.066837 0.113114 0.326198 -0.096722 -0.029623 -0.171835 0.004837 0.011839 0.003666 0.152050 0.066153 -0.827797 0.013873 0.005241 0.032514 0.057708 -0.096246 0.012409 0.004055 -0.006667 -0.000409 0.006115 -0.008506 0.017841 -0.000406 0.012916 0.035621 0.004112 0.002469 -0.000957 -0.004269 0.004704 0.030006 -0.154633 0.030968 0.022441 0.048629 0.015092 -0.071706 -0.014772 0.002923 -0.030576 0.001489 0.035245 0.018865 0.065394 -0.097535 -0.155154 -0.010959 0.042144 -0.015773 -0.002505 0.026878 0.004990 -0.024639 -0.023011 -0.087103 0.012411 0.004093 0.007143 -0.009279 0.015979 0.008611 -0.738970 0.141664 0.880895 0.011326 -0.029731 -0.011754 -0.446636 -0.353611 -0.010170 0.018342 0.003941 0.025565 0.141498 0.002083 -0.121847 -0.002079 -0.002923 0.012943 0.012858 -0.016634 0.029161 -0.021437 0.080178 -0.293373 -0.008541 0.005063 -0.015697 -0.003498 0.004915 0.010549 0.705766 0.227444 0.349724 0.010841 0.035212 0.003938 0.172262 -0.069845 0.231807 -0.000415 -0.005220 0.020466 -0.082741 -0.317437 -0.592971 0.003422 -0.003101 0.037761 -0.005911 0.010828 0.028256 0.046735 0.075684 0.282637 0.020394 0.025387 -0.008466 0.003743 -0.005849 0.027343 -0.002210 -0.026626 0.180990 -0.016514 -0.018469 -0.044151 -0.379720 0.223138 -0.070284 -0.003669 -0.005111 0.009454 0.133151 -0.064309 0.171297 0.025442 0.007723 0.020435 0.011038 -0.003035 0.005362 0.244999 0.015961 -0.082631 0.007303 -0.003033 0.003140 -0.005032 -0.005503 0.021912 0.158895 -0.202648 -0.184190 0.021163 -0.018377 0.010489 0.474838 0.020847 0.179718 -0.015093 0.008172 0.059223 -0.144984 0.284778 -0.325026 -0.008255 0.001432 -0.018170 -0.006927 -0.013849 0.043424 -0.250481 -0.068024 -0.111160 -0.004935 -0.013332 -0.005456 0.000477 0.009500 0.031058 -0.006466 -0.009434 -0.016227 0.020828 -0.089075 -0.005768 -0.103588 0.067189 0.396062 -0.002000 0.030139 0.029481 -0.140595 0.088449 -0.130046 0.114320 -0.050538 -0.369467 -0.021901 0.010442 0.040367 -0.012088 -0.076442 0.211449 0.009598 -0.020331 0.014997 -0.033627 -0.101660 -0.136504 -0.010754 -0.019253 -0.029615 0.005898 -0.019130 0.000035 0.017283 -0.020456 -0.016721 0.133260 -0.186441 0.115011 0.014035 0.008726 -0.077254 -0.004540 0.014880 0.004108 -0.211438 0.227213 0.027320 0.005170 0.003702 0.022230 0.017206 0.025318 0.003598 0.072428 0.115950 0.322909 -0.096367 -0.027671 -0.167310 0.005896 0.014824 -0.008995 0.152812 0.066650 -0.828417 0.020792 0.005725 0.037986 0.058152 -0.098416 0.016134 0.026730 -0.007886 -0.003837 0.012746 -0.009634 0.005594 -0.007047 -0.006213 0.042308 0.005001 0.010192 0.004997 0.006016 0.003365 0.033176 -0.156366 0.026616 0.020582 0.048427 0.015571 -0.068173 -0.016961 0.011315 -0.035640 -0.005320 0.034882 0.000199 0.064710 -0.098009 -0.154844 -0.005040 0.040165 -0.004588 0.017168 0.018686 0.013509 -0.030071 -0.023135 -0.091048 0.004053 0.022122 0.006496 -0.022439 0.020504 0.009535 -0.735140 0.142898 0.887779 0.007016 -0.002179 -0.015043 -0.426853 -0.360717 0.001578 0.006937 0.022154 0.027476 0.141936 0.002780 -0.121040 0.001019 -0.000738 0.011583 0.003607 -0.011976 0.034824 -0.022585 0.081160 -0.302930 -0.008806 -0.000586 -0.004903 -0.002636 0.005607 0.010613 0.701423 0.212848 0.364705 -0.003148 0.024015 -0.000570 0.152312 -0.070135 0.227441 0.007460 -0.004908 0.021500 -0.082474 -0.316495 -0.622170 -0.011709 0.008496 0.033292 -0.005372 0.011353 0.033742 0.048188 0.075509 0.284383 0.029823 0.044197 0.001064 0.009190 -0.008204 0.021177 0.000292 -0.025724 0.172691 -0.029696 -0.026416 -0.089267 -0.377215 0.230367 -0.059857 -0.017467 -0.035587 0.002279 0.135731 -0.064304 0.168765 0.034460 -0.001437 0.033745 0.013241 -0.013584 0.008202 0.244038 0.015170 -0.082857 0.010889 -0.008722 -0.012140 -0.015445 -0.002007 0.024455 0.153065 -0.186805 -0.176314 0.040029 -0.011307 0.013921 0.474036 0.020902 0.171783 0.010318 0.001989 0.064719 -0.147799 0.283176 -0.325960 -0.021169 0.006771 -0.030752 -0.008321 -0.007977 0.051531 -0.250439 -0.067776 -0.109435 -0.010677 0.007694 0.009297 0.006018 0.011599 0.037060 -0.011553 -0.001660 -0.000929 0.017761 0.024422 0.050207 -0.102830 0.078332 0.396833 0.013655 -0.005373 0.007141 -0.139665 0.072434 -0.137521 0.118627 -0.037215 -0.381375 0.003878 -0.002428 0.029251 -0.012218 -0.075589 0.215044 0.001406 0.002398 0.026229 -0.044749 -0.095888 -0.116362 0.018049 -0.008562 -0.006929 -0.003992 -0.002365 0.007881 -0.007513 -0.021305 -0.011481 0.134032 -0.187681 0.122189 0.012757 0.010893 -0.028998 -0.002835 0.003042 0.007450 -0.210628 0.225177 0.032260 -0.014970 -0.005082 -0.003439 0.017140 -0.003201 0.006179 0.080045 0.112831 0.317070 -0.097658 -0.029313 -0.164604 0.012548 0.000559 -0.006836 0.152660 0.067941 -0.827420 0.006478 0.001098 0.038174 0.060390 -0.106405 0.026416 0.023984 -0.000616 -0.021605 0.012924 -0.009054 0.000270 -0.016621 -0.035131 0.027024 0.004659 0.012083 0.014136 -0.003227 0.002390 0.033686 -0.153898 0.018351 0.015483 0.049540 0.016882 -0.060418 -0.006191 0.020515 -0.016467 0.006291 0.031303 0.001304 0.063223 -0.099143 -0.154504 0.008555 0.045374 0.003767 0.030095 0.022867 0.022299 -0.038674 -0.024250 -0.095702 -0.003797 0.021266 0.006471 -0.001283 0.008034 0.015313 -0.732452 0.139539 0.881552 0.000559 0.023282 -0.001648 -0.418233 -0.353817 0.021267 -0.020233 0.010607 0.021685 0.142687 0.003644 -0.118316 0.013358 -0.011142 -0.001902 -0.006785 0.005887 0.015265 -0.026798 0.082160 -0.296203 -0.002798 -0.018036 -0.011451 -0.004732 0.000928 0.008588 0.701088 0.185134 0.368443 0.004553 0.017112 -0.023063 0.148749 -0.070348 0.226188 0.009317 0.001674 0.001311 -0.081662 -0.315435 -0.661773 -0.009652 0.002881 -0.003504 0.000745 -0.000570 0.011011 0.050958 0.073072 0.289851 0.016750 0.002845 0.011800 0.011101 -0.003280 0.004507 0.003028 -0.020531 0.186200 -0.014044 -0.004869 -0.070518 -0.377915 0.222019 -0.055361 -0.035770 -0.011750 0.008634 0.138902 -0.065053 0.164095 0.031889 0.005251 0.039214 0.006814 -0.002672 0.014629 0.244975 0.014852 -0.080173 0.013047 -0.005524 -0.004082 -0.009288 -0.003084 0.001308 0.152021 -0.155751 -0.168786 0.015155 -0.008554 0.011957 0.480018 0.023689 0.151955 0.008664 -0.010134 0.037031 -0.151283 0.281231 -0.324157 -0.025274 0.007544 -0.031806 -0.012023 0.018361 0.060394 -0.251054 -0.067575 -0.106193 -0.002362 -0.031769 0.008342 0.011581 -0.009746 0.026221 -0.014393 0.001115 0.004834 0.014405 0.082442 0.079633 -0.102688 0.084552 0.396258 0.021780 -0.027107 -0.002367 -0.139297 0.064999 -0.142377 0.120934 -0.030465 -0.387720 0.017303 -0.003740 0.027656 -0.012638 -0.075525 0.216872 -0.001820 0.014706 0.033581 -0.049514 -0.092544 -0.105854 0.032986 -0.004705 0.005030 -0.009801 0.006555 0.009340 -0.023521 -0.022877 -0.010439 0.135401 -0.187446 0.126274 0.008453 0.012628 -0.005112 -0.002791 -0.003396 0.009284 -0.208743 0.224997 0.034366 -0.025181 -0.010482 -0.019408 0.016561 -0.019553 0.007360 0.083149 0.112954 0.315989 -0.098337 -0.029865 -0.162137 0.015172 -0.006387 -0.005973 0.152747 0.069036 -0.827403 -0.000688 -0.002091 0.038343 0.060467 -0.109459 0.031459 0.021642 0.004100 -0.031402 0.012830 -0.008957 -0.003124 -0.020995 -0.049813 0.018062 0.004196 0.012978 0.018864 -0.007459 0.001406 0.033825 -0.153373 0.014904 0.012819 0.049970 0.017818 -0.056711 0.001765 0.026294 -0.005367 0.011436 0.029714 -0.000826 0.062350 -0.099398 -0.154501 0.014842 0.048327 0.008002 0.038683 0.026600 0.027047 -0.042898 -0.024338 -0.097823 -0.007975 0.021788 0.005225 0.011223 0.003917 0.018963 -0.731775 0.138127 0.877940 -0.005075 0.039239 0.001147 -0.419231 -0.352158 0.030739 -0.032326 0.010738 0.019353 0.143132 0.004169 -0.117238 0.020299 -0.015220 -0.009741 -0.011000 0.009349 0.008111 -0.028179 0.083756 -0.295794 -0.001810 -0.024724 -0.013345 -0.007014 -0.001017 0.009564 0.701324 0.175789 0.370967 0.009381 0.016062 -0.039756 0.152859 -0.069127 0.223940 0.010254 0.006466 -0.006708 -0.080468 -0.314389 -0.679153 -0.005117 0.001122 -0.015619 0.004388 -0.005630 0.003085 0.051847 0.072706 0.293341 0.008915 -0.022861 0.017926 0.012235 -0.003076 -0.002476 0.004465 -0.017787 0.193186 -0.006936 0.006558 -0.061431 -0.378372 0.220903 -0.052676 -0.043975 0.000316 0.008853 0.141179 -0.064768 0.161246 0.032375 0.007887 0.039972 0.004596 0.000099 0.018609 0.244830 0.014265 -0.079121 0.013512 -0.005126 0.000066 -0.008171 -0.004350 -0.008776 0.150456 -0.144053 -0.164305 0.005954 -0.012963 0.008000 0.482968 0.024573 0.144087 0.005627 -0.016717 0.021398 -0.153797 0.280202 -0.323617 -0.027787 0.004142 -0.032466 -0.012949 0.026909 0.068260 -0.251113 -0.067543 -0.104280 0.003438 -0.054712 0.007209 0.014878 -0.020833 0.018957 -0.005382 -0.004242 0.028273 0.002737 -0.065587 0.017704 -0.103079 0.090962 0.399095 0.001693 -0.007780 -0.048681 -0.135923 0.064138 -0.124685 0.127789 -0.028326 -0.391549 -0.037128 0.001306 -0.003373 -0.013293 -0.076137 0.224059 -0.012110 0.003628 0.009093 -0.051757 -0.086681 -0.087253 0.010197 0.001052 0.020542 -0.001461 0.017072 0.019381 0.004195 0.006944 0.008567 0.135025 -0.192084 0.126317 -0.020027 0.005768 0.014184 0.012144 -0.004421 0.011719 -0.211948 0.222474 0.044924 -0.019131 -0.000046 0.002090 0.006065 -0.006000 0.015711 0.086850 0.114076 0.310945 -0.099371 -0.030941 -0.157627 0.018598 -0.017350 -0.016198 0.152283 0.070596 -0.826191 -0.000528 0.006366 0.029311 0.071016 -0.117547 0.046387 -0.004806 0.016393 -0.015994 -0.008079 0.010823 -0.003598 -0.015563 0.037960 0.017210 0.010390 -0.007834 0.014040 0.005882 -0.006514 0.014934 -0.152271 0.010940 0.010304 0.051159 0.017732 -0.048562 0.035094 0.010431 0.000677 0.020418 -0.001189 0.008636 0.061672 -0.100828 -0.154856 0.023807 0.050999 0.007826 -0.007449 0.019036 0.001516 -0.047049 -0.024431 -0.096820 0.002874 0.001619 -0.009647 0.010516 -0.005435 0.031990 -0.733167 0.136962 0.875421 -0.004062 -0.002175 0.000579 -0.382974 -0.361322 0.041113 -0.011403 0.005033 0.009526 0.145883 0.003374 -0.115124 0.009931 -0.007131 0.000964 -0.013711 0.015740 -0.005205 -0.028465 0.085228 -0.299479 -0.003260 0.000828 -0.000050 -0.002194 -0.006267 0.013606 0.705620 0.150250 0.368882 0.014639 0.003911 -0.009969 0.116346 -0.069188 0.244337 0.019021 0.012859 -0.003642 -0.081688 -0.313637 -0.704425 0.003987 0.000473 -0.003838 0.015195 -0.014675 -0.008130 0.052137 0.073098 0.295363 0.002560 0.034276 0.017335 -0.002793 0.002464 -0.012819 0.009455 -0.019634 0.210768 -0.003658 -0.014635 0.012738 -0.383989 0.225661 -0.046509 0.009490 0.008609 0.008601 0.144170 -0.065028 0.154709 0.026018 -0.007704 0.010857 -0.004226 0.001002 0.014513 0.245082 0.013091 -0.077990 0.004001 0.007915 0.003434 -0.011952 0.011691 -0.019177 0.148403 -0.113953 -0.168616 -0.010126 -0.009329 0.005736 0.493759 0.022720 0.118523 0.005035 -0.012589 -0.007371 -0.157515 0.277423 -0.323017 -0.009477 -0.014665 -0.007171 -0.003441 0.012616 0.043041 -0.250690 -0.066715 -0.099450 0.007925 0.002704 0.009569 0.016085 -0.006220 0.001965 -0.001451 -0.005639 0.027964 0.000253 -0.091538 0.003938 -0.103368 0.095594 0.399645 -0.003325 -0.004471 -0.058649 -0.131692 0.061293 -0.122495 0.131024 -0.025237 -0.392245 -0.045551 0.001077 -0.009540 -0.013629 -0.076233 0.224868 -0.013260 0.002245 0.000602 -0.052879 -0.085465 -0.084883 0.006785 0.002165 0.021092 0.000558 0.018792 0.024815 0.010003 0.013274 0.013665 0.131643 -0.195704 0.125223 -0.022909 0.003699 0.020593 0.013847 -0.004143 0.010035 -0.212509 0.221981 0.046396 -0.018418 0.002532 0.005316 0.003815 -0.003660 0.016635 0.089744 0.114262 0.304910 -0.101879 -0.029828 -0.158259 0.019478 -0.019356 -0.018148 0.152224 0.070974 -0.826529 -0.001179 0.006505 0.028706 0.073764 -0.121207 0.049123 -0.008845 0.017915 -0.014225 -0.011005 0.013616 -0.003069 -0.015322 0.051079 0.017038 0.011040 -0.011245 0.012981 0.008217 -0.007830 0.013236 -0.152309 0.008281 0.007176 0.051361 0.017961 -0.047658 0.039323 0.008801 0.001244 0.022049 -0.006360 0.009062 0.061313 -0.100955 -0.155651 0.025795 0.051213 0.006737 -0.014668 0.018017 -0.005912 -0.049896 -0.024403 -0.100240 0.004391 -0.001496 -0.011684 0.010860 -0.006670 0.033157 -0.732129 0.135872 0.874099 -0.001538 -0.008383 0.000336 -0.355401 -0.360891 0.041798 -0.010479 0.006725 0.011426 0.146890 0.003672 -0.114464 0.013221 -0.007271 0.000956 -0.013066 0.018714 -0.001653 -0.029142 0.085367 -0.298546 -0.004306 0.007001 -0.000663 -0.005111 -0.006086 0.014830 0.704421 0.133308 0.368229 0.014370 0.009591 -0.008590 0.086427 -0.069693 0.248898 0.023030 0.012201 0.000298 -0.082497 -0.312603 -0.727538 0.000778 0.001077 0.015625 0.016020 -0.017785 -0.006200 0.052525 0.073585 0.295644 0.000596 0.045929 0.014347 0.001806 0.002254 -0.009946 0.010588 -0.018640 0.213556 -0.002704 -0.018293 0.019133 -0.381590 0.224819 -0.042415 0.013925 0.009826 0.006510 0.144662 -0.065118 0.153481 0.028309 -0.008808 0.012826 -0.004958 -0.000192 0.016974 0.245433 0.013374 -0.077831 0.003412 0.004802 0.003212 -0.010078 0.011329 -0.018905 0.145396 -0.094500 -0.169572 -0.010727 -0.013603 0.004775 0.490988 0.023041 0.112765 0.007326 -0.010756 -0.001868 -0.158803 0.275898 -0.320820 -0.008358 -0.015326 -0.012283 -0.002643 0.016572 0.051373 -0.251153 -0.066943 -0.099260 0.008641 0.004152 0.007410 0.012524 -0.004054 0.007087 -0.003305 -0.004081 0.023618 0.009038 0.048062 -0.020326 -0.102390 0.099788 0.401207 0.015593 0.001973 0.021887 -0.140051 0.056722 -0.127044 0.133024 -0.026275 -0.364096 0.065142 0.015899 0.001633 -0.014213 -0.076421 0.229974 -0.002237 -0.006895 -0.005994 -0.050711 -0.090955 -0.072332 -0.007487 0.002928 0.010464 0.000017 -0.015221 -0.000599 -0.005465 0.009688 0.015430 0.143294 -0.193197 0.135212 0.007159 -0.008102 -0.009339 0.012844 -0.005482 -0.006890 -0.213665 0.229935 0.056866 0.001690 0.007459 0.006852 -0.005338 0.009336 0.017408 0.092381 0.113729 0.305680 -0.099458 -0.032640 -0.167860 -0.002949 -0.006548 0.000617 0.151977 0.072205 -0.823395 0.003408 0.008193 0.014371 0.077907 -0.121682 0.059348 0.004714 0.007345 -0.006198 0.001215 -0.002963 -0.005271 -0.004802 0.007901 0.015459 0.006753 0.003579 -0.000760 0.008324 -0.002614 -0.001129 -0.150731 0.005553 0.008618 0.052184 0.018200 -0.042603 0.003470 -0.012701 0.011388 -0.004772 -0.011276 0.004076 0.060013 -0.102264 -0.160480 0.029951 0.051723 0.004504 -0.010164 -0.001818 0.006619 -0.053041 -0.024581 -0.096774 -0.010719 0.000366 0.011783 -0.002179 -0.002670 0.016883 -0.733538 0.135963 0.869503 0.006351 0.007387 0.010853 -0.348322 -0.354673 0.055105 0.015386 0.005951 -0.007067 0.148958 0.001634 -0.113340 -0.002877 -0.006443 0.001439 0.001340 0.003986 0.005168 -0.031292 0.086491 -0.297610 0.012823 0.007397 0.012611 0.018698 -0.004409 0.004913 0.706622 0.121147 0.372291 -0.027632 0.000545 0.031432 0.084660 -0.069164 0.267749 0.003332 0.002063 -0.002521 -0.083666 -0.313393 -0.736904 0.005030 -0.005536 0.011839 0.005917 -0.001692 -0.016377 0.053974 0.072134 0.296603 -0.001030 -0.010923 -0.000742 -0.013487 0.008457 -0.008755 0.014359 -0.019889 0.206399 0.007656 0.016459 0.009393 -0.388724 0.219450 -0.045014 -0.006189 -0.004534 0.019321 0.145786 -0.063488 0.146801 -0.002895 0.003305 -0.015057 -0.000861 -0.002427 0.014924 0.244151 0.013030 -0.076266 -0.008515 0.016813 0.003420 -0.014835 0.017342 -0.008097 0.147868 -0.081640 -0.166414 -0.008935 -0.012782 0.003868 0.502548 0.024823 0.102346 -0.043716 -0.007747 -0.015302 -0.160922 0.275941 -0.321564 -0.009168 0.006116 0.014094 -0.001865 -0.011713 0.012070 -0.250492 -0.066971 -0.098601 0.001098 -0.028611 -0.003233 0.015980 -0.002599 -0.008086 -0.003381 -0.003568 0.026069 0.006602 0.025328 -0.015105 -0.102387 0.097925 0.400062 0.012976 0.000291 0.007122 -0.140861 0.057858 -0.125970 0.131592 -0.027581 -0.368372 0.047617 0.013407 -0.000390 -0.014021 -0.076433 0.229281 -0.003400 -0.006175 -0.002727 -0.051230 -0.090158 -0.074210 -0.004935 0.002919 0.013384 -0.000545 -0.009452 0.001937 -0.002955 0.009445 0.015014 0.141973 -0.190826 0.133977 0.001927 -0.005670 -0.005098 0.013071 -0.005504 -0.003308 -0.214467 0.228316 0.055330 -0.001697 0.006467 0.006629 -0.003406 0.007026 0.018464 0.091349 0.113211 0.308601 -0.099220 -0.032784 -0.166147 0.000591 -0.008476 -0.002671 0.151997 0.071844 -0.823485 0.002863 0.008308 0.014972 0.075687 -0.120819 0.059169 0.002320 0.009089 -0.007104 -0.001390 -0.000332 -0.005025 -0.005652 0.014900 0.015435 0.007560 0.001009 0.001900 0.008232 -0.003601 -0.000066 -0.150635 0.006122 0.008898 0.052069 0.017999 -0.043351 0.009503 -0.009130 0.008948 -0.000290 -0.010878 0.005178 0.060272 -0.102125 -0.159365 0.029299 0.051712 0.005474 -0.010491 0.002321 0.005517 -0.052277 -0.024637 -0.095442 -0.008041 -0.000202 0.008274 0.000048 -0.003196 0.019761 -0.733218 0.136067 0.870634 0.003908 0.005368 0.009063 -0.365986 -0.354796 0.053149 0.011181 0.004340 -0.005292 0.148659 0.001927 -0.113681 -0.002498 -0.004940 0.001086 -0.000860 0.006018 0.003932 -0.031326 0.086199 -0.296066 0.009976 0.006581 0.009396 0.015398 -0.004796 0.006928 0.706466 0.123115 0.371923 -0.021022 0.000455 0.024749 0.104212 -0.068416 0.263288 0.003078 0.004210 -0.004168 -0.082688 -0.313504 -0.730643 0.007042 -0.003000 0.005436 0.007500 -0.003915 -0.014409 0.054072 0.072278 0.296625 -0.000758 -0.002704 0.002244 -0.011373 0.007763 -0.010430 0.013579 -0.019841 0.207938 0.006787 0.010698 0.012889 -0.387933 0.218512 -0.045010 -0.001460 -0.003335 0.017165 0.145635 -0.063993 0.148145 0.001226 0.000136 -0.011087 -0.001734 -0.001895 0.015367 0.244522 0.013081 -0.076392 -0.007493 0.016311 0.004636 -0.014671 0.016756 -0.009656 0.149013 -0.084586 -0.166804 -0.009657 -0.010811 0.002913 0.501815 0.024276 0.105828 -0.036446 -0.008319 -0.016216 -0.160633 0.276700 -0.321154 -0.007548 0.003189 0.014337 -0.000072 -0.007663 0.011938 -0.250665 -0.067025 -0.098335 0.002274 -0.021055 -0.000992 0.015431 -0.003337 -0.010837</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="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a80" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a60" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a27 a79" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a67" 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="6.33177"
                           xFract="0.75020972"
                           y3="4.22322"
                           yFract="0.50038152"
                           z3="8.42875"
                           zFract="0.37933168"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32819"
                           xFract="0.74978555"
                           y3="-0.00166"
                           yFract="-0.00019668"
                           z3="4.22209"
                           zFract="0.19001305"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00032"
                           xFract="0.00003791"
                           y3="6.32807"
                           yFract="0.74977133"
                           z3="4.22995"
                           zFract="0.19036679"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21941"
                           xFract="0.49993009"
                           y3="4.21558"
                           yFract="0.4994763"
                           z3="6.34268"
                           zFract="0.28544914"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.10953"
                           xFract="0.24994431"
                           y3="-0.00363"
                           yFract="-0.00043009"
                           z3="8.42453"
                           zFract="0.37914176"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.22432"
                           xFract="0.50051185"
                           y3="6.33009"
                           yFract="0.75001066"
                           z3="8.42143"
                           zFract="0.37900225"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.10958"
                           xFract="0.24995024"
                           y3="0.00547"
                           yFract="0.0006481"
                           z3="4.20548"
                           zFract="0.18926553"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.23222"
                           xFract="0.50144787"
                           y3="6.32669"
                           yFract="0.74960782"
                           z3="4.22547"
                           zFract="0.19016517"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.22383"
                           xFract="0.50045379"
                           y3="2.1133"
                           yFract="0.250391"
                           z3="4.22119"
                           zFract="0.18997255"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33574"
                           xFract="0.75068009"
                           y3="-0.00073"
                           yFract="-0.00008649"
                           z3="8.42729"
                           zFract="0.37926598"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.09768"
                           xFract="0.24854028"
                           y3="6.32436"
                           yFract="0.74933175"
                           z3="6.33224"
                           zFract="0.2849793"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.1045"
                           xFract="0.24934834"
                           y3="4.21896"
                           yFract="0.49987678"
                           z3="8.42969"
                           zFract="0.37937399"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3371"
                           xFract="0.75084123"
                           y3="6.32973"
                           yFract="0.74996801"
                           z3="6.34006"
                           zFract="0.28533123"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.22491"
                           xFract="0.50058175"
                           y3="2.11296"
                           yFract="0.25035071"
                           z3="8.47973"
                           zFract="0.38162601"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.32177"
                           xFract="0.74902488"
                           y3="2.10986"
                           yFract="0.24998341"
                           z3="6.34004"
                           zFract="0.28533033"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33142"
                           xFract="0.75016825"
                           y3="4.22101"
                           yFract="0.50011967"
                           z3="4.22183"
                           zFract="0.19000135"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.00224"
                           xFract="0.0002654"
                           y3="4.22834"
                           yFract="0.50098815"
                           z3="6.33961"
                           zFract="0.28531098"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10882"
                           xFract="0.24986019"
                           y3="4.22245"
                           yFract="0.50029028"
                           z3="4.22045"
                           zFract="0.18993924"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00261"
                           xFract="-0.00030924"
                           y3="6.3282"
                           yFract="0.74978673"
                           z3="8.47559"
                           zFract="0.38143969"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.0006"
                           xFract="0.00007109"
                           y3="2.1148"
                           yFract="0.25056872"
                           z3="4.21692"
                           zFract="0.18978038"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.00363"
                           xFract="-0.00043009"
                           y3="-0.00851"
                           yFract="-0.00100829"
                           z3="6.33791"
                           zFract="0.28523447"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.22387"
                           xFract="0.50045853"
                           y3="0.00752"
                           yFract="0.000891"
                           z3="6.34255"
                           zFract="0.28544329"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.11739"
                           xFract="0.25087559"
                           y3="2.11432"
                           yFract="0.25051185"
                           z3="6.33992"
                           zFract="0.28532493"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00256"
                           xFract="-0.00030332"
                           y3="2.11016"
                           yFract="0.25001896"
                           z3="8.45001"
                           zFract="0.38028848"/>
                     <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="-0.00438"
                           xFract="-0.00051896"
                           y3="2.12498"
                           yFract="0.25177488"
                           z3="6.31447"
                           zFract="0.28417957"/>
                     <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="2.1111"
                           xFract="0.25013033"
                           y3="-0.02115"
                           yFract="-0.00250592"
                           z3="6.32888"
                           zFract="0.28482808"/>
                     <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="-0.0035"
                           xFract="-0.00041469"
                           y3="-0.01501"
                           yFract="-0.00177844"
                           z3="4.20232"
                           zFract="0.18912331"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00042"
                           xFract="-0.00004976"
                           y3="0.00814"
                           yFract="0.00096445"
                           z3="8.45759"
                           zFract="0.38062961"/>
                     <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="2.12778"
                           xFract="0.25210664"
                           y3="2.0883"
                           yFract="0.24742891"
                           z3="4.21429"
                           zFract="0.18966202"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11646"
                           xFract="0.2507654"
                           y3="2.10979"
                           yFract="0.24997512"
                           z3="8.45807"
                           zFract="0.38065122"/>
                     <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="4.22389"
                           xFract="0.5004609"
                           y3="2.13257"
                           yFract="0.25267417"
                           z3="6.26884"
                           zFract="0.28212601"/>
                     <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="6.32947"
                           xFract="0.7499372"
                           y3="-0.00225"
                           yFract="-0.00026659"
                           z3="6.31841"
                           zFract="0.28435689"/>
                     <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="4.2197"
                           xFract="0.49996445"
                           y3="-0.00224"
                           yFract="-0.0002654"
                           z3="4.22381"
                           zFract="0.19009046"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22306"
                           xFract="0.50036256"
                           y3="0.00445"
                           yFract="0.00052725"
                           z3="8.45984"
                           zFract="0.38073087"/>
                     <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="6.31481"
                           xFract="0.74820024"
                           y3="2.09182"
                           yFract="0.24784597"
                           z3="4.19282"
                           zFract="0.18869577"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31984"
                           xFract="0.74879621"
                           y3="2.11037"
                           yFract="0.25004384"
                           z3="8.4539"
                           zFract="0.38046355"/>
                     <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="0.00448"
                           xFract="0.00053081"
                           y3="6.31454"
                           yFract="0.74816825"
                           z3="6.27362"
                           zFract="0.28234113"/>
                     <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="2.13073"
                           xFract="0.25245616"
                           y3="4.23922"
                           yFract="0.50227725"
                           z3="6.34593"
                           zFract="0.28559541"/>
                     <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="-0.0078"
                           xFract="-0.00092417"
                           y3="4.23723"
                           yFract="0.50204147"
                           z3="4.21019"
                           zFract="0.1894775"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00232"
                           xFract="-0.00027488"
                           y3="4.21393"
                           yFract="0.49928081"
                           z3="8.44156"
                           zFract="0.37990819"/>
                     <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="2.12118"
                           xFract="0.25132464"
                           y3="6.35685"
                           yFract="0.75318128"
                           z3="4.21477"
                           zFract="0.18968362"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.12316"
                           xFract="0.25155924"
                           y3="6.32378"
                           yFract="0.74926303"
                           z3="8.44442"
                           zFract="0.3800369"/>
                     <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="4.2029"
                           xFract="0.49797393"
                           y3="6.30917"
                           yFract="0.74753199"
                           z3="6.32194"
                           zFract="0.28451575"/>
                     <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="6.30725"
                           xFract="0.7473045"
                           y3="4.22243"
                           yFract="0.50028791"
                           z3="6.34188"
                           zFract="0.28541314"/>
                     <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="4.22731"
                           xFract="0.50086611"
                           y3="4.22259"
                           yFract="0.50030687"
                           z3="4.23419"
                           zFract="0.19055761"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2190"
                           xFract="0.49988152"
                           y3="4.20911"
                           yFract="0.49870972"
                           z3="8.43312"
                           zFract="0.37952835"/>
                     <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="6.33139"
                           xFract="0.75016469"
                           y3="6.34935"
                           yFract="0.75229265"
                           z3="4.19502"
                           zFract="0.18879478"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32345"
                           xFract="0.74922393"
                           y3="6.3325"
                           yFract="0.75029621"
                           z3="8.46177"
                           zFract="0.38081773"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a80" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a60" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a27 a79" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.4">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33308"
                           xFract="0.75036493"
                           y3="4.22561"
                           yFract="0.50066469"
                           z3="8.4207"
                           zFract="0.3789694"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32685"
                           xFract="0.74962678"
                           y3="-0.00289"
                           yFract="-0.00034242"
                           z3="4.22379"
                           zFract="0.19008956"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00056"
                           xFract="0.00006635"
                           y3="6.32664"
                           yFract="0.7496019"
                           z3="4.23747"
                           zFract="0.19070522"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21896"
                           xFract="0.49987678"
                           y3="4.2123"
                           yFract="0.49908768"
                           z3="6.35238"
                           zFract="0.28588569"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.10917"
                           xFract="0.24990166"
                           y3="-0.00632"
                           yFract="-0.00074882"
                           z3="8.41336"
                           zFract="0.37863906"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.22752"
                           xFract="0.500891"
                           y3="6.33015"
                           yFract="0.75001777"
                           z3="8.40796"
                           zFract="0.37839604"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.10927"
                           xFract="0.24991351"
                           y3="0.00953"
                           yFract="0.00112915"
                           z3="4.19486"
                           zFract="0.18878758"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.24128"
                           xFract="0.50252133"
                           y3="6.32424"
                           yFract="0.74931754"
                           z3="4.22967"
                           zFract="0.19035419"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.22667"
                           xFract="0.50079028"
                           y3="2.11574"
                           yFract="0.25068009"
                           z3="4.22222"
                           zFract="0.1900189"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3400"
                           xFract="0.75118483"
                           y3="-0.00127"
                           yFract="-0.00015047"
                           z3="8.41817"
                           zFract="0.37885554"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.08856"
                           xFract="0.24745972"
                           y3="6.32018"
                           yFract="0.74883649"
                           z3="6.33421"
                           zFract="0.28506796"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10043"
                           xFract="0.24886611"
                           y3="4.21819"
                           yFract="0.49978555"
                           z3="8.42235"
                           zFract="0.37904365"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.34237"
                           xFract="0.75146564"
                           y3="6.32952"
                           yFract="0.74994313"
                           z3="6.34782"
                           zFract="0.28568047"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.22855"
                           xFract="0.50101303"
                           y3="2.11516"
                           yFract="0.25061137"
                           z3="8.50948"
                           zFract="0.3829649"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.31567"
                           xFract="0.74830213"
                           y3="2.10975"
                           yFract="0.24997038"
                           z3="6.34779"
                           zFract="0.28567912"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33247"
                           xFract="0.75029265"
                           y3="4.22176"
                           yFract="0.50020853"
                           z3="4.22333"
                           zFract="0.19006886"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0039"
                           xFract="0.00046209"
                           y3="4.23453"
                           yFract="0.50172156"
                           z3="6.34704"
                           zFract="0.28564536"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10795"
                           xFract="0.24975711"
                           y3="4.22427"
                           yFract="0.50050592"
                           z3="4.22094"
                           zFract="0.1899613"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00455"
                           xFract="-0.0005391"
                           y3="6.32686"
                           yFract="0.74962796"
                           z3="8.50227"
                           zFract="0.38264041"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.00105"
                           xFract="0.00012441"
                           y3="2.11836"
                           yFract="0.25099052"
                           z3="4.21479"
                           zFract="0.18968452"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.00633"
                           xFract="-0.00075"
                           y3="-0.01482"
                           yFract="-0.00175592"
                           z3="6.34408"
                           zFract="0.28551215"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.22674"
                           xFract="0.50079858"
                           y3="0.01309"
                           yFract="0.00155095"
                           z3="6.35215"
                           zFract="0.28587534"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.12286"
                           xFract="0.2515237"
                           y3="2.11752"
                           yFract="0.250891"
                           z3="6.34757"
                           zFract="0.28566922"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00446"
                           xFract="-0.00052844"
                           y3="2.11027"
                           yFract="0.25003199"
                           z3="8.45772"
                           zFract="0.38063546"/>
                     <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="-0.00763"
                           xFract="-0.00090403"
                           y3="2.13608"
                           yFract="0.25309005"
                           z3="6.30326"
                           zFract="0.28367507"/>
                     <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="2.11191"
                           xFract="0.2502263"
                           y3="-0.03682"
                           yFract="-0.00436256"
                           z3="6.32836"
                           zFract="0.28480468"/>
                     <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="-0.00609"
                           xFract="-0.00072156"
                           y3="-0.02613"
                           yFract="-0.00309597"
                           z3="4.18937"
                           zFract="0.1885405"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00073"
                           xFract="-0.00008649"
                           y3="0.01418"
                           yFract="0.00168009"
                           z3="8.47092"
                           zFract="0.38122952"/>
                     <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="2.14096"
                           xFract="0.25366825"
                           y3="2.07222"
                           yFract="0.2455237"
                           z3="4.21021"
                           zFract="0.1894784"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12124"
                           xFract="0.25133175"
                           y3="2.10963"
                           yFract="0.24995616"
                           z3="8.47177"
                           zFract="0.38126778"/>
                     <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="4.22678"
                           xFract="0.50080332"
                           y3="2.1493"
                           yFract="0.2546564"
                           z3="6.22381"
                           zFract="0.28009946"/>
                     <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="6.32907"
                           xFract="0.74988981"
                           y3="-0.00391"
                           yFract="-0.00046327"
                           z3="6.31012"
                           zFract="0.2839838"/>
                     <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="4.21947"
                           xFract="0.4999372"
                           y3="-0.0039"
                           yFract="-0.00046209"
                           z3="4.22679"
                           zFract="0.19022457"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22533"
                           xFract="0.50063152"
                           y3="0.00776"
                           yFract="0.00091943"
                           z3="8.47484"
                           zFract="0.38140594"/>
                     <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="6.30356"
                           xFract="0.7468673"
                           y3="2.07835"
                           yFract="0.24625"
                           z3="4.17283"
                           zFract="0.18779613"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31232"
                           xFract="0.74790521"
                           y3="2.11064"
                           yFract="0.25007583"
                           z3="8.46451"
                           zFract="0.38094104"/>
                     <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="0.00781"
                           xFract="0.00092536"
                           y3="6.30309"
                           yFract="0.74681161"
                           z3="6.23214"
                           zFract="0.28047435"/>
                     <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="2.14609"
                           xFract="0.25427607"
                           y3="4.25347"
                           yFract="0.50396564"
                           z3="6.35804"
                           zFract="0.28614041"/>
                     <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="-0.01358"
                           xFract="-0.001609"
                           y3="4.24999"
                           yFract="0.50355332"
                           z3="4.20306"
                           zFract="0.18915662"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00405"
                           xFract="-0.00047986"
                           y3="4.20942"
                           yFract="0.49874645"
                           z3="8.44301"
                           zFract="0.37997345"/>
                     <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="2.12946"
                           xFract="0.25230569"
                           y3="6.37675"
                           yFract="0.7555391"
                           z3="4.21104"
                           zFract="0.18951575"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.13292"
                           xFract="0.25271564"
                           y3="6.31916"
                           yFract="0.74871564"
                           z3="8.44799"
                           zFract="0.38019757"/>
                     <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="4.19023"
                           xFract="0.49647275"
                           y3="6.29373"
                           yFract="0.74570261"
                           z3="6.31627"
                           zFract="0.28426058"/>
                     <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="6.29039"
                           xFract="0.74530687"
                           y3="4.22423"
                           yFract="0.50050118"
                           z3="6.3510"
                           zFract="0.28582358"/>
                     <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="4.23272"
                           xFract="0.50150711"
                           y3="4.22451"
                           yFract="0.50053436"
                           z3="4.24486"
                           zFract="0.1910378"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21825"
                           xFract="0.49979265"
                           y3="4.20104"
                           yFract="0.49775355"
                           z3="8.42831"
                           zFract="0.37931188"/>
                     <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="6.33242"
                           xFract="0.75028673"
                           y3="6.36369"
                           yFract="0.75399171"
                           z3="4.17665"
                           zFract="0.18796805"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.31859"
                           xFract="0.7486481"
                           y3="6.33436"
                           yFract="0.75051659"
                           z3="8.4782"
                           zFract="0.38155716"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a80" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a60" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a27 a79" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.5">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.3357"
                           xFract="0.75067536"
                           y3="4.23038"
                           yFract="0.50122986"
                           z3="8.40461"
                           zFract="0.37824527"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32417"
                           xFract="0.74930924"
                           y3="-0.00534"
                           yFract="-0.0006327"
                           z3="4.22718"
                           zFract="0.19024212"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00103"
                           xFract="0.00012204"
                           y3="6.32377"
                           yFract="0.74926185"
                           z3="4.25251"
                           zFract="0.19138209"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21808"
                           xFract="0.49977251"
                           y3="4.20574"
                           yFract="0.49831043"
                           z3="6.37177"
                           zFract="0.28675833"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.10847"
                           xFract="0.24981872"
                           y3="-0.01169"
                           yFract="-0.00138507"
                           z3="8.39102"
                           zFract="0.37763366"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.23392"
                           xFract="0.50164929"
                           y3="6.33029"
                           yFract="0.75003436"
                           z3="8.38103"
                           zFract="0.37718407"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.10864"
                           xFract="0.24983886"
                           y3="0.01764"
                           yFract="0.00209005"
                           z3="4.17363"
                           zFract="0.18783213"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2594"
                           xFract="0.50466825"
                           y3="6.31933"
                           yFract="0.74873578"
                           z3="4.23808"
                           zFract="0.19073267"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.23234"
                           xFract="0.50146209"
                           y3="2.12064"
                           yFract="0.25126066"
                           z3="4.22429"
                           zFract="0.19011206"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34852"
                           xFract="0.75219431"
                           y3="-0.00235"
                           yFract="-0.00027844"
                           z3="8.39992"
                           zFract="0.3780342"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.0703"
                           xFract="0.24529621"
                           y3="6.31182"
                           yFract="0.74784597"
                           z3="6.33814"
                           zFract="0.28524482"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09228"
                           xFract="0.24790047"
                           y3="4.21664"
                           yFract="0.4996019"
                           z3="8.40766"
                           zFract="0.37838254"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35289"
                           xFract="0.75271209"
                           y3="6.32912"
                           yFract="0.74989573"
                           z3="6.36335"
                           zFract="0.28637939"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.23583"
                           xFract="0.50187559"
                           y3="2.11954"
                           yFract="0.25113033"
                           z3="8.56897"
                           zFract="0.38564221"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.30348"
                           xFract="0.74685782"
                           y3="2.10954"
                           yFract="0.2499455"
                           z3="6.36329"
                           zFract="0.28637669"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33457"
                           xFract="0.75054147"
                           y3="4.22325"
                           yFract="0.50038507"
                           z3="4.22634"
                           zFract="0.19020432"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.00721"
                           xFract="0.00085427"
                           y3="4.2469"
                           yFract="0.5031872"
                           z3="6.3619"
                           zFract="0.28631413"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1062"
                           xFract="0.24954976"
                           y3="4.2279"
                           yFract="0.50093602"
                           z3="4.2219"
                           zFract="0.1900045"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00842"
                           xFract="-0.00099763"
                           y3="6.32418"
                           yFract="0.74931043"
                           z3="8.55563"
                           zFract="0.38504185"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.00194"
                           xFract="0.00022986"
                           y3="2.12547"
                           yFract="0.25183294"
                           z3="4.21052"
                           zFract="0.18949235"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01171"
                           xFract="-0.00138744"
                           y3="-0.02744"
                           yFract="-0.00325118"
                           z3="6.35641"
                           zFract="0.28606706"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.23248"
                           xFract="0.50147867"
                           y3="0.02423"
                           yFract="0.00287085"
                           z3="6.37137"
                           zFract="0.28674032"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13381"
                           xFract="0.25282109"
                           y3="2.12392"
                           yFract="0.25164929"
                           z3="6.36288"
                           zFract="0.28635824"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00826"
                           xFract="-0.00097867"
                           y3="2.1105"
                           yFract="0.25005924"
                           z3="8.47315"
                           zFract="0.38132988"/>
                     <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="-0.01413"
                           xFract="-0.00167417"
                           y3="2.15829"
                           yFract="0.25572156"
                           z3="6.28085"
                           zFract="0.28266652"/>
                     <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="2.11354"
                           xFract="0.25041943"
                           y3="-0.06817"
                           yFract="-0.00807701"
                           z3="6.32731"
                           zFract="0.28475743"/>
                     <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="-0.01127"
                           xFract="-0.00133531"
                           y3="-0.04838"
                           yFract="-0.00573223"
                           z3="4.16346"
                           zFract="0.18737444"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00136"
                           xFract="-0.00016114"
                           y3="0.02624"
                           yFract="0.003109"
                           z3="8.49759"
                           zFract="0.38242979"/>
                     <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="2.16731"
                           xFract="0.25679028"
                           y3="2.04006"
                           yFract="0.24171327"
                           z3="4.20204"
                           zFract="0.18911071"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13082"
                           xFract="0.25246682"
                           y3="2.10932"
                           yFract="0.24991943"
                           z3="8.49915"
                           zFract="0.3825"/>
                     <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="4.23255"
                           xFract="0.50148697"
                           y3="2.18276"
                           yFract="0.25862085"
                           z3="6.13375"
                           zFract="0.27604635"/>
                     <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="6.32828"
                           xFract="0.74979621"
                           y3="-0.00724"
                           yFract="-0.00085782"
                           z3="6.29354"
                           zFract="0.28323762"/>
                     <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="4.21902"
                           xFract="0.49988389"
                           y3="-0.00721"
                           yFract="-0.00085427"
                           z3="4.23273"
                           zFract="0.1904919"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22986"
                           xFract="0.50116825"
                           y3="0.01436"
                           yFract="0.00170142"
                           z3="8.50485"
                           zFract="0.38275653"/>
                     <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="6.28105"
                           xFract="0.74420024"
                           y3="2.0514"
                           yFract="0.24305687"
                           z3="4.13284"
                           zFract="0.1859964"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29726"
                           xFract="0.74612085"
                           y3="2.11118"
                           yFract="0.25013981"
                           z3="8.48571"
                           zFract="0.38189514"/>
                     <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="0.01446"
                           xFract="0.00171327"
                           y3="6.28017"
                           yFract="0.74409597"
                           z3="6.14917"
                           zFract="0.27674032"/>
                     <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="2.17682"
                           xFract="0.25791706"
                           y3="4.28196"
                           yFract="0.50734123"
                           z3="6.38226"
                           zFract="0.28723042"/>
                     <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="-0.02514"
                           xFract="-0.00297867"
                           y3="4.27553"
                           yFract="0.50657938"
                           z3="4.18881"
                           zFract="0.1885153"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00749"
                           xFract="-0.00088744"
                           y3="4.20042"
                           yFract="0.49768009"
                           z3="8.44591"
                           zFract="0.38010396"/>
                     <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="2.14603"
                           xFract="0.25426896"
                           y3="6.41655"
                           yFract="0.76025474"
                           z3="4.20359"
                           zFract="0.18918047"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15243"
                           xFract="0.25502725"
                           y3="6.30994"
                           yFract="0.74762322"
                           z3="8.45514"
                           zFract="0.38051935"/>
                     <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="4.16488"
                           xFract="0.49346919"
                           y3="6.26286"
                           yFract="0.74204502"
                           z3="6.30493"
                           zFract="0.28375023"/>
                     <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="6.25667"
                           xFract="0.74131161"
                           y3="4.22784"
                           yFract="0.50092891"
                           z3="6.36922"
                           zFract="0.28664356"/>
                     <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="4.24355"
                           xFract="0.50279028"
                           y3="4.22835"
                           yFract="0.50098934"
                           z3="4.2662"
                           zFract="0.1919982"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21677"
                           xFract="0.4996173"
                           y3="4.1849"
                           yFract="0.49584123"
                           z3="8.4187"
                           zFract="0.37887939"/>
                     <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="6.33448"
                           xFract="0.75053081"
                           y3="6.39238"
                           yFract="0.757391"
                           z3="4.13991"
                           zFract="0.18631458"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.30888"
                           xFract="0.74749763"
                           y3="6.33806"
                           yFract="0.75095498"
                           z3="8.51106"
                           zFract="0.383036"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a80" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a60" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a27 a79" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.6">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33401"
                           xFract="0.75047512"
                           y3="4.2273"
                           yFract="0.50086493"
                           z3="8.41499"
                           zFract="0.37871242"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3259"
                           xFract="0.74951422"
                           y3="-0.00376"
                           yFract="-0.0004455"
                           z3="4.22499"
                           zFract="0.19014356"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00073"
                           xFract="0.00008649"
                           y3="6.32562"
                           yFract="0.74948104"
                           z3="4.2428"
                           zFract="0.19094509"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21865"
                           xFract="0.49984005"
                           y3="4.20997"
                           yFract="0.49881161"
                           z3="6.35925"
                           zFract="0.28619487"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.10892"
                           xFract="0.24987204"
                           y3="-0.00822"
                           yFract="-0.00097393"
                           z3="8.40544"
                           zFract="0.37828263"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.22979"
                           xFract="0.50115995"
                           y3="6.3302"
                           yFract="0.7500237"
                           z3="8.39841"
                           zFract="0.37796625"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.10904"
                           xFract="0.24988626"
                           y3="0.01241"
                           yFract="0.00147038"
                           z3="4.18733"
                           zFract="0.18844869"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.24771"
                           xFract="0.50328318"
                           y3="6.3225"
                           yFract="0.74911137"
                           z3="4.23266"
                           zFract="0.19048875"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.22868"
                           xFract="0.50102844"
                           y3="2.11748"
                           yFract="0.25088626"
                           z3="4.22296"
                           zFract="0.19005221"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34302"
                           xFract="0.75154265"
                           y3="-0.00165"
                           yFract="-0.0001955"
                           z3="8.4117"
                           zFract="0.37856436"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.08208"
                           xFract="0.24669194"
                           y3="6.31721"
                           yFract="0.7484846"
                           z3="6.3356"
                           zFract="0.28513051"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09754"
                           xFract="0.2485237"
                           y3="4.21764"
                           yFract="0.49972038"
                           z3="8.41714"
                           zFract="0.37880918"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3461"
                           xFract="0.75190758"
                           y3="6.32938"
                           yFract="0.74992654"
                           z3="6.35333"
                           zFract="0.28592844"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.23113"
                           xFract="0.50131872"
                           y3="2.11671"
                           yFract="0.25079502"
                           z3="8.53057"
                           zFract="0.38391404"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.31135"
                           xFract="0.74779028"
                           y3="2.10968"
                           yFract="0.24996209"
                           z3="6.35329"
                           zFract="0.28592664"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33321"
                           xFract="0.75038033"
                           y3="4.22229"
                           yFract="0.50027133"
                           z3="4.2244"
                           zFract="0.19011701"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.00507"
                           xFract="0.00060071"
                           y3="4.23891"
                           yFract="0.50224052"
                           z3="6.35231"
                           zFract="0.28588254"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10733"
                           xFract="0.24968365"
                           y3="4.22556"
                           yFract="0.50065877"
                           z3="4.22128"
                           zFract="0.1899766"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00592"
                           xFract="-0.00070142"
                           y3="6.32591"
                           yFract="0.7495154"
                           z3="8.52119"
                           zFract="0.3834919"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.00137"
                           xFract="0.00016232"
                           y3="2.12088"
                           yFract="0.2512891"
                           z3="4.21328"
                           zFract="0.18961656"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.00823"
                           xFract="-0.00097512"
                           y3="-0.01929"
                           yFract="-0.00228555"
                           z3="6.34845"
                           zFract="0.28570882"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.22878"
                           xFract="0.50104028"
                           y3="0.01704"
                           yFract="0.00201896"
                           z3="6.35897"
                           zFract="0.28618227"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.12674"
                           xFract="0.25198341"
                           y3="2.11979"
                           yFract="0.25115995"
                           z3="6.3530"
                           zFract="0.28591359"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00581"
                           xFract="-0.00068839"
                           y3="2.11035"
                           yFract="0.25004147"
                           z3="8.46319"
                           zFract="0.38088164"/>
                     <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="-0.00993"
                           xFract="-0.00117654"
                           y3="2.14396"
                           yFract="0.2540237"
                           z3="6.29532"
                           zFract="0.28331773"/>
                     <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="2.11249"
                           xFract="0.25029502"
                           y3="-0.04794"
                           yFract="-0.00568009"
                           z3="6.32799"
                           zFract="0.28478803"/>
                     <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="-0.00792"
                           xFract="-0.00093839"
                           y3="-0.03402"
                           yFract="-0.00403081"
                           z3="4.18018"
                           zFract="0.18812691"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00095"
                           xFract="-0.00011256"
                           y3="0.01846"
                           yFract="0.0021872"
                           z3="8.48038"
                           zFract="0.38165527"/>
                     <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="2.1503"
                           xFract="0.25477488"
                           y3="2.06082"
                           yFract="0.24417299"
                           z3="4.20731"
                           zFract="0.18934788"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12464"
                           xFract="0.2517346"
                           y3="2.10952"
                           yFract="0.24994313"
                           z3="8.48148"
                           zFract="0.38170477"/>
                     <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="4.22882"
                           xFract="0.50104502"
                           y3="2.16116"
                           yFract="0.25606161"
                           z3="6.19188"
                           zFract="0.27866247"/>
                     <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="6.32879"
                           xFract="0.74985664"
                           y3="-0.00509"
                           yFract="-0.00060308"
                           z3="6.30424"
                           zFract="0.28371917"/>
                     <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="4.21931"
                           xFract="0.49991825"
                           y3="-0.00507"
                           yFract="-0.00060071"
                           z3="4.2289"
                           zFract="0.19031953"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22693"
                           xFract="0.50082109"
                           y3="0.0101"
                           yFract="0.00119668"
                           z3="8.48548"
                           zFract="0.38188479"/>
                     <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="6.29558"
                           xFract="0.7459218"
                           y3="2.06879"
                           yFract="0.2451173"
                           z3="4.15865"
                           zFract="0.18715797"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30698"
                           xFract="0.74727251"
                           y3="2.11083"
                           yFract="0.25009834"
                           z3="8.47202"
                           zFract="0.38127903"/>
                     <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="0.01017"
                           xFract="0.00120498"
                           y3="6.29496"
                           yFract="0.74584834"
                           z3="6.20271"
                           zFract="0.27914986"/>
                     <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="2.15699"
                           xFract="0.25556754"
                           y3="4.26357"
                           yFract="0.50516232"
                           z3="6.36663"
                           zFract="0.286527"/>
                     <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="-0.01768"
                           xFract="-0.00209479"
                           y3="4.25905"
                           yFract="0.50462678"
                           z3="4.19801"
                           zFract="0.18892934"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00527"
                           xFract="-0.00062441"
                           y3="4.20623"
                           yFract="0.49836848"
                           z3="8.44404"
                           zFract="0.3800198"/>
                     <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="2.13533"
                           xFract="0.25300118"
                           y3="6.39086"
                           yFract="0.7572109"
                           z3="4.2084"
                           zFract="0.18939694"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.13984"
                           xFract="0.25353555"
                           y3="6.31589"
                           yFract="0.7483282"
                           z3="8.45053"
                           zFract="0.38031188"/>
                     <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="4.18124"
                           xFract="0.49540758"
                           y3="6.28278"
                           yFract="0.74440521"
                           z3="6.31225"
                           zFract="0.28407966"/>
                     <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="6.27844"
                           xFract="0.743891"
                           y3="4.22551"
                           yFract="0.50065284"
                           z3="6.35746"
                           zFract="0.28611431"/>
                     <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="4.23656"
                           xFract="0.50196209"
                           y3="4.22587"
                           yFract="0.5006955"
                           z3="4.25243"
                           zFract="0.19137849"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21773"
                           xFract="0.49973104"
                           y3="4.19532"
                           yFract="0.49707583"
                           z3="8.4249"
                           zFract="0.37915842"/>
                     <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="6.33315"
                           xFract="0.75037322"
                           y3="6.37387"
                           yFract="0.75519787"
                           z3="4.16362"
                           zFract="0.18738164"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.31515"
                           xFract="0.74824052"
                           y3="6.33567"
                           yFract="0.7506718"
                           z3="8.48985"
                           zFract="0.38208146"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a80" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a60" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a27 a79" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.7">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33253"
                           xFract="0.75029976"
                           y3="4.22619"
                           yFract="0.50073341"
                           z3="8.41512"
                           zFract="0.37871827"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32222"
                           xFract="0.7490782"
                           y3="-0.00292"
                           yFract="-0.00034597"
                           z3="4.21467"
                           zFract="0.18967912"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00999"
                           xFract="0.00118365"
                           y3="6.3337"
                           yFract="0.75043839"
                           z3="4.20267"
                           zFract="0.18913906"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21425"
                           xFract="0.49931872"
                           y3="4.21009"
                           yFract="0.49882583"
                           z3="6.3628"
                           zFract="0.28635464"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.11437"
                           xFract="0.25051777"
                           y3="-0.01231"
                           yFract="-0.00145853"
                           z3="8.40487"
                           zFract="0.37825698"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.23085"
                           xFract="0.50128555"
                           y3="6.32752"
                           yFract="0.74970616"
                           z3="8.38895"
                           zFract="0.3775405"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11213"
                           xFract="0.25025237"
                           y3="0.00775"
                           yFract="0.00091825"
                           z3="4.18768"
                           zFract="0.18846445"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.24549"
                           xFract="0.50302014"
                           y3="6.32218"
                           yFract="0.74907346"
                           z3="4.24156"
                           zFract="0.19088929"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.22804"
                           xFract="0.50095261"
                           y3="2.12014"
                           yFract="0.25120142"
                           z3="4.19302"
                           zFract="0.18870477"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34145"
                           xFract="0.75135664"
                           y3="0.00246"
                           yFract="0.00029147"
                           z3="8.41226"
                           zFract="0.37858956"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.08095"
                           xFract="0.24655806"
                           y3="6.31833"
                           yFract="0.7486173"
                           z3="6.32636"
                           zFract="0.28471467"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09823"
                           xFract="0.24860545"
                           y3="4.21546"
                           yFract="0.49946209"
                           z3="8.42034"
                           zFract="0.3789532"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.34762"
                           xFract="0.75208768"
                           y3="6.32339"
                           yFract="0.74921682"
                           z3="6.35768"
                           zFract="0.28612421"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.23258"
                           xFract="0.50149052"
                           y3="2.11633"
                           yFract="0.25075"
                           z3="8.56191"
                           zFract="0.38532448"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.30195"
                           xFract="0.74667654"
                           y3="2.11505"
                           yFract="0.25059834"
                           z3="6.35311"
                           zFract="0.28591854"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33259"
                           xFract="0.75030687"
                           y3="4.22273"
                           yFract="0.50032346"
                           z3="4.23264"
                           zFract="0.19048785"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.00369"
                           xFract="0.0004372"
                           y3="4.24035"
                           yFract="0.50241114"
                           z3="6.35762"
                           zFract="0.28612151"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10859"
                           xFract="0.24983294"
                           y3="4.23176"
                           yFract="0.50139336"
                           z3="4.22479"
                           zFract="0.19013456"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00477"
                           xFract="-0.00056517"
                           y3="6.32428"
                           yFract="0.74932227"
                           z3="8.55208"
                           zFract="0.38488209"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.0035"
                           xFract="0.00041469"
                           y3="2.12409"
                           yFract="0.25166943"
                           z3="4.21135"
                           zFract="0.1895297"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.00356"
                           xFract="-0.0004218"
                           y3="-0.02228"
                           yFract="-0.00263981"
                           z3="6.35117"
                           zFract="0.28583123"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.22264"
                           xFract="0.5003128"
                           y3="0.02655"
                           yFract="0.00314573"
                           z3="6.36838"
                           zFract="0.28660576"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13518"
                           xFract="0.25298341"
                           y3="2.11977"
                           yFract="0.25115758"
                           z3="6.35949"
                           zFract="0.28620567"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00999"
                           xFract="-0.00118365"
                           y3="2.11122"
                           yFract="0.25014455"
                           z3="8.47355"
                           zFract="0.38134788"/>
                     <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="-0.00996"
                           xFract="-0.00118009"
                           y3="2.14724"
                           yFract="0.25441232"
                           z3="6.28747"
                           zFract="0.28296445"/>
                     <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="2.10728"
                           xFract="0.24967773"
                           y3="-0.04622"
                           yFract="-0.0054763"
                           z3="6.33182"
                           zFract="0.2849604"/>
                     <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="-0.01321"
                           xFract="-0.00156517"
                           y3="-0.03577"
                           yFract="-0.00423815"
                           z3="4.18319"
                           zFract="0.18826238"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00305"
                           xFract="-0.00036137"
                           y3="0.0181"
                           yFract="0.00214455"
                           z3="8.48315"
                           zFract="0.38177993"/>
                     <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="2.14548"
                           xFract="0.25420379"
                           y3="2.0568"
                           yFract="0.24369668"
                           z3="4.2091"
                           zFract="0.18942844"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12141"
                           xFract="0.2513519"
                           y3="2.10925"
                           yFract="0.24991114"
                           z3="8.48495"
                           zFract="0.38186094"/>
                     <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="4.22991"
                           xFract="0.50117417"
                           y3="2.16755"
                           yFract="0.25681872"
                           z3="6.19735"
                           zFract="0.27890864"/>
                     <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="6.3320"
                           xFract="0.75023697"
                           y3="-0.00912"
                           yFract="-0.00108057"
                           z3="6.30511"
                           zFract="0.28375833"/>
                     <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="4.23104"
                           xFract="0.50130806"
                           y3="-0.01028"
                           yFract="-0.00121801"
                           z3="4.22696"
                           zFract="0.19023222"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23186"
                           xFract="0.50140521"
                           y3="0.00383"
                           yFract="0.00045379"
                           z3="8.48593"
                           zFract="0.38190504"/>
                     <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="6.30476"
                           xFract="0.74700948"
                           y3="2.05479"
                           yFract="0.24345853"
                           z3="4.13178"
                           zFract="0.18594869"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31168"
                           xFract="0.74782938"
                           y3="2.1091"
                           yFract="0.24989336"
                           z3="8.48687"
                           zFract="0.38194734"/>
                     <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="0.00649"
                           xFract="0.00076896"
                           y3="6.28971"
                           yFract="0.7452263"
                           z3="6.19049"
                           zFract="0.27859991"/>
                     <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="2.18289"
                           xFract="0.25863626"
                           y3="4.25761"
                           yFract="0.50445616"
                           z3="6.36775"
                           zFract="0.28657741"/>
                     <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="-0.02342"
                           xFract="-0.00277488"
                           y3="4.26085"
                           yFract="0.50484005"
                           z3="4.18778"
                           zFract="0.18846895"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00613"
                           xFract="-0.0007263"
                           y3="4.20778"
                           yFract="0.49855213"
                           z3="8.45111"
                           zFract="0.38033798"/>
                     <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="2.13994"
                           xFract="0.25354739"
                           y3="6.39502"
                           yFract="0.75770379"
                           z3="4.20188"
                           zFract="0.18910351"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.13402"
                           xFract="0.25284597"
                           y3="6.31385"
                           yFract="0.74808649"
                           z3="8.45227"
                           zFract="0.38039019"/>
                     <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="4.18558"
                           xFract="0.4959218"
                           y3="6.27701"
                           yFract="0.74372156"
                           z3="6.31851"
                           zFract="0.28436139"/>
                     <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="6.24793"
                           xFract="0.74027607"
                           y3="4.22918"
                           yFract="0.50108768"
                           z3="6.35884"
                           zFract="0.28617642"/>
                     <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="4.24526"
                           xFract="0.50299289"
                           y3="4.23341"
                           yFract="0.50158886"
                           z3="4.2532"
                           zFract="0.19141314"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21985"
                           xFract="0.49998223"
                           y3="4.19677"
                           yFract="0.49724763"
                           z3="8.42121"
                           zFract="0.37899235"/>
                     <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="6.33451"
                           xFract="0.75053436"
                           y3="6.38835"
                           yFract="0.75691351"
                           z3="4.14508"
                           zFract="0.18654725"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.31909"
                           xFract="0.74870735"
                           y3="6.33976"
                           yFract="0.7511564"
                           z3="8.50673"
                           zFract="0.38284113"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a80" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a60" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a27 a79" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.8">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33076"
                           xFract="0.75009005"
                           y3="4.22486"
                           yFract="0.50057583"
                           z3="8.41527"
                           zFract="0.37872502"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.31781"
                           xFract="0.74855569"
                           y3="-0.00191"
                           yFract="-0.0002263"
                           z3="4.2023"
                           zFract="0.18912241"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.02107"
                           xFract="0.00249645"
                           y3="6.34337"
                           yFract="0.75158412"
                           z3="4.15459"
                           zFract="0.18697525"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20899"
                           xFract="0.4986955"
                           y3="4.21023"
                           yFract="0.49884242"
                           z3="6.36704"
                           zFract="0.28654545"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.12089"
                           xFract="0.25129028"
                           y3="-0.0172"
                           yFract="-0.00203791"
                           z3="8.40418"
                           zFract="0.37822592"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.23213"
                           xFract="0.5014372"
                           y3="6.32431"
                           yFract="0.74932583"
                           z3="8.37761"
                           zFract="0.37703015"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11582"
                           xFract="0.25068957"
                           y3="0.00217"
                           yFract="0.00025711"
                           z3="4.18809"
                           zFract="0.1884829"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.24283"
                           xFract="0.50270498"
                           y3="6.32181"
                           yFract="0.74902962"
                           z3="4.25223"
                           zFract="0.19136949"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.22727"
                           xFract="0.50086137"
                           y3="2.12332"
                           yFract="0.2515782"
                           z3="4.15715"
                           zFract="0.18709046"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.33956"
                           xFract="0.7511327"
                           y3="0.00738"
                           yFract="0.00087441"
                           z3="8.41294"
                           zFract="0.37862016"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.0796"
                           xFract="0.2463981"
                           y3="6.31968"
                           yFract="0.74877725"
                           z3="6.31529"
                           zFract="0.28421647"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09906"
                           xFract="0.24870379"
                           y3="4.21285"
                           yFract="0.49915284"
                           z3="8.42418"
                           zFract="0.37912601"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.34944"
                           xFract="0.75230332"
                           y3="6.31622"
                           yFract="0.7483673"
                           z3="6.36289"
                           zFract="0.28635869"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.23431"
                           xFract="0.5016955"
                           y3="2.11587"
                           yFract="0.2506955"
                           z3="8.59944"
                           zFract="0.3870135"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.29069"
                           xFract="0.74534242"
                           y3="2.12149"
                           yFract="0.25136137"
                           z3="6.35289"
                           zFract="0.28590864"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33184"
                           xFract="0.75021801"
                           y3="4.22327"
                           yFract="0.50038744"
                           z3="4.24251"
                           zFract="0.19093204"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.00205"
                           xFract="0.00024289"
                           y3="4.24207"
                           yFract="0.50261493"
                           z3="6.36398"
                           zFract="0.28640774"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1101"
                           xFract="0.25001185"
                           y3="4.23918"
                           yFract="0.50227251"
                           z3="4.2290"
                           zFract="0.19032403"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00338"
                           xFract="-0.00040047"
                           y3="6.32233"
                           yFract="0.74909123"
                           z3="8.58909"
                           zFract="0.3865477"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.00606"
                           xFract="0.00071801"
                           y3="2.12794"
                           yFract="0.25212559"
                           z3="4.20905"
                           zFract="0.18942619"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00205"
                           xFract="0.00024289"
                           y3="-0.02586"
                           yFract="-0.00306398"
                           z3="6.35443"
                           zFract="0.28597795"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.21529"
                           xFract="0.49944194"
                           y3="0.03794"
                           yFract="0.00449526"
                           z3="6.37966"
                           zFract="0.28711341"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14528"
                           xFract="0.25418009"
                           y3="2.11975"
                           yFract="0.25115521"
                           z3="6.36726"
                           zFract="0.28655536"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.0150"
                           xFract="-0.00177725"
                           y3="2.11226"
                           yFract="0.25026777"
                           z3="8.48596"
                           zFract="0.38190639"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="-0.00999"
                           xFract="-0.00118365"
                           y3="2.15116"
                           yFract="0.25487678"
                           z3="6.27808"
                           zFract="0.28254185"/>
                     <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="2.10105"
                           xFract="0.24893957"
                           y3="-0.04415"
                           yFract="-0.00523104"
                           z3="6.33641"
                           zFract="0.28516697"/>
                     <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="-0.01954"
                           xFract="-0.00231517"
                           y3="-0.03787"
                           yFract="-0.00448697"
                           z3="4.18679"
                           zFract="0.18842439"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00555"
                           xFract="-0.00065758"
                           y3="0.01768"
                           yFract="0.00209479"
                           z3="8.48646"
                           zFract="0.38192889"/>
                     <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="2.13971"
                           xFract="0.25352014"
                           y3="2.05199"
                           yFract="0.24312678"
                           z3="4.21124"
                           zFract="0.18952475"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11755"
                           xFract="0.25089455"
                           y3="2.10893"
                           yFract="0.24987322"
                           z3="8.48911"
                           zFract="0.38204815"/>
                     <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="4.23121"
                           xFract="0.5013282"
                           y3="2.1752"
                           yFract="0.25772512"
                           z3="6.2039"
                           zFract="0.27920342"/>
                     <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="6.33584"
                           xFract="0.75069194"
                           y3="-0.01394"
                           yFract="-0.00165166"
                           z3="6.30615"
                           zFract="0.28380513"/>
                     <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="4.24509"
                           xFract="0.50297275"
                           y3="-0.01651"
                           yFract="-0.00195616"
                           z3="4.22463"
                           zFract="0.19012736"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23776"
                           xFract="0.50210427"
                           y3="-0.00367"
                           yFract="-0.00043483"
                           z3="8.48647"
                           zFract="0.38192934"/>
                     <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="6.31575"
                           xFract="0.74831161"
                           y3="2.03801"
                           yFract="0.24147038"
                           z3="4.0996"
                           zFract="0.18450045"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3173"
                           xFract="0.74849526"
                           y3="2.10702"
                           yFract="0.24964692"
                           z3="8.50464"
                           zFract="0.38274707"/>
                     <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="0.00209"
                           xFract="0.00024763"
                           y3="6.28342"
                           yFract="0.74448104"
                           z3="6.17584"
                           zFract="0.27794059"/>
                     <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="2.21392"
                           xFract="0.2623128"
                           y3="4.25047"
                           yFract="0.50361019"
                           z3="6.36908"
                           zFract="0.28663726"/>
                     <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="-0.03029"
                           xFract="-0.00358886"
                           y3="4.26301"
                           yFract="0.50509597"
                           z3="4.17552"
                           zFract="0.18791719"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00717"
                           xFract="-0.00084953"
                           y3="4.20964"
                           yFract="0.49877251"
                           z3="8.45957"
                           zFract="0.38071872"/>
                     <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="2.14546"
                           xFract="0.25420142"
                           y3="6.4000"
                           yFract="0.75829384"
                           z3="4.19407"
                           zFract="0.18875203"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.12704"
                           xFract="0.25201896"
                           y3="6.31141"
                           yFract="0.74779739"
                           z3="8.45436"
                           zFract="0.38048425"/>
                     <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="4.19079"
                           xFract="0.4965391"
                           y3="6.27009"
                           yFract="0.74290166"
                           z3="6.32601"
                           zFract="0.28469892"/>
                     <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="6.21139"
                           xFract="0.73594668"
                           y3="4.23357"
                           yFract="0.50160782"
                           z3="6.36049"
                           zFract="0.28625068"/>
                     <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="4.25569"
                           xFract="0.50422867"
                           y3="4.24244"
                           yFract="0.50265877"
                           z3="4.25412"
                           zFract="0.19145455"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2224"
                           xFract="0.50028436"
                           y3="4.19851"
                           yFract="0.49745379"
                           z3="8.41678"
                           zFract="0.37879298"/>
                     <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="6.33613"
                           xFract="0.7507263"
                           y3="6.40569"
                           yFract="0.75896801"
                           z3="4.12286"
                           zFract="0.18554725"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3238"
                           xFract="0.7492654"
                           y3="6.34466"
                           yFract="0.75173697"
                           z3="8.52695"
                           zFract="0.38375113"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a80" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a60" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.9">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33015"
                           xFract="0.75001777"
                           y3="4.22496"
                           yFract="0.50058768"
                           z3="8.42265"
                           zFract="0.37905716"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32223"
                           xFract="0.74907938"
                           y3="-0.00499"
                           yFract="-0.00059123"
                           z3="4.20252"
                           zFract="0.18913231"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.01919"
                           xFract="0.0022737"
                           y3="6.34665"
                           yFract="0.75197275"
                           z3="4.15294"
                           zFract="0.18690099"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20777"
                           xFract="0.49855095"
                           y3="4.20673"
                           yFract="0.49842773"
                           z3="6.36723"
                           zFract="0.28655401"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.12111"
                           xFract="0.25131635"
                           y3="-0.02186"
                           yFract="-0.00259005"
                           z3="8.41563"
                           zFract="0.37874122"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.23777"
                           xFract="0.50210545"
                           y3="6.32078"
                           yFract="0.74890758"
                           z3="8.38501"
                           zFract="0.37736319"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1193"
                           xFract="0.2511019"
                           y3="0.00687"
                           yFract="0.00081398"
                           z3="4.19198"
                           zFract="0.18865797"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25006"
                           xFract="0.50356161"
                           y3="6.3244"
                           yFract="0.74933649"
                           z3="4.25293"
                           zFract="0.19140099"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.22647"
                           xFract="0.50076659"
                           y3="2.12526"
                           yFract="0.25180806"
                           z3="4.16325"
                           zFract="0.18736499"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3403"
                           xFract="0.75122038"
                           y3="0.00868"
                           yFract="0.00102844"
                           z3="8.41708"
                           zFract="0.37880648"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.07142"
                           xFract="0.24542891"
                           y3="6.31465"
                           yFract="0.74818128"
                           z3="6.31099"
                           zFract="0.28402295"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10058"
                           xFract="0.24888389"
                           y3="4.21114"
                           yFract="0.49895024"
                           z3="8.4310"
                           zFract="0.37943294"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.35987"
                           xFract="0.7535391"
                           y3="6.31762"
                           yFract="0.74853318"
                           z3="6.36412"
                           zFract="0.28641404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.23761"
                           xFract="0.50208649"
                           y3="2.11451"
                           yFract="0.25053436"
                           z3="8.62899"
                           zFract="0.38834338"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.28991"
                           xFract="0.74525"
                           y3="2.12096"
                           yFract="0.25129858"
                           z3="6.34996"
                           zFract="0.28577678"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33694"
                           xFract="0.75082227"
                           y3="4.22869"
                           yFract="0.50102962"
                           z3="4.25113"
                           zFract="0.19131998"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.00189"
                           xFract="-0.00022393"
                           y3="4.24334"
                           yFract="0.5027654"
                           z3="6.36303"
                           zFract="0.28636499"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10787"
                           xFract="0.24974763"
                           y3="4.24044"
                           yFract="0.5024218"
                           z3="4.23324"
                           zFract="0.19051485"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00487"
                           xFract="-0.00057701"
                           y3="6.32371"
                           yFract="0.74925474"
                           z3="8.61845"
                           zFract="0.38786904"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01322"
                           xFract="0.00156635"
                           y3="2.13058"
                           yFract="0.25243839"
                           z3="4.21024"
                           zFract="0.18947975"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.00572"
                           xFract="-0.00067773"
                           y3="-0.03064"
                           yFract="-0.00363033"
                           z3="6.35723"
                           zFract="0.28610396"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.22047"
                           xFract="0.50005569"
                           y3="0.05435"
                           yFract="0.00643957"
                           z3="6.38274"
                           zFract="0.28725203"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14813"
                           xFract="0.25451777"
                           y3="2.11913"
                           yFract="0.25108175"
                           z3="6.37029"
                           zFract="0.28669172"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02061"
                           xFract="-0.00244194"
                           y3="2.11005"
                           yFract="0.25000592"
                           z3="8.49676"
                           zFract="0.38239244"/>
                     <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="-0.01651"
                           xFract="-0.00195616"
                           y3="2.16849"
                           yFract="0.25693009"
                           z3="6.28065"
                           zFract="0.28265752"/>
                     <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="2.10231"
                           xFract="0.24908886"
                           y3="-0.04032"
                           yFract="-0.00477725"
                           z3="6.33545"
                           zFract="0.28512376"/>
                     <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="-0.01977"
                           xFract="-0.00234242"
                           y3="-0.03654"
                           yFract="-0.00432938"
                           z3="4.18792"
                           zFract="0.18847525"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00024"
                           xFract="-0.00002844"
                           y3="0.01246"
                           yFract="0.0014763"
                           z3="8.48466"
                           zFract="0.38184788"/>
                     <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="2.1378"
                           xFract="0.25329384"
                           y3="2.05207"
                           yFract="0.24313626"
                           z3="4.21467"
                           zFract="0.18967912"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11256"
                           xFract="0.25030332"
                           y3="2.10711"
                           yFract="0.24965758"
                           z3="8.4932"
                           zFract="0.38223222"/>
                     <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="4.23729"
                           xFract="0.50204858"
                           y3="2.17372"
                           yFract="0.25754976"
                           z3="6.19765"
                           zFract="0.27892214"/>
                     <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="6.33367"
                           xFract="0.75043483"
                           y3="-0.0152"
                           yFract="-0.00180095"
                           z3="6.30607"
                           zFract="0.28380153"/>
                     <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="4.2479"
                           xFract="0.50330569"
                           y3="-0.01424"
                           yFract="-0.0016872"
                           z3="4.22824"
                           zFract="0.19028983"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23542"
                           xFract="0.50182701"
                           y3="-0.00994"
                           yFract="-0.00117773"
                           z3="8.48282"
                           zFract="0.38176508"/>
                     <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="6.31697"
                           xFract="0.74845616"
                           y3="2.02679"
                           yFract="0.240141"
                           z3="4.07129"
                           zFract="0.18322637"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32431"
                           xFract="0.74932583"
                           y3="2.10783"
                           yFract="0.24974289"
                           z3="8.52962"
                           zFract="0.38387129"/>
                     <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="0.0015"
                           xFract="0.00017773"
                           y3="6.26467"
                           yFract="0.74225948"
                           z3="6.14834"
                           zFract="0.27670297"/>
                     <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="2.24823"
                           xFract="0.26637796"
                           y3="4.24526"
                           yFract="0.50299289"
                           z3="6.36429"
                           zFract="0.28642169"/>
                     <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="-0.03796"
                           xFract="-0.00449763"
                           y3="4.26775"
                           yFract="0.50565758"
                           z3="4.17055"
                           zFract="0.18769352"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00558"
                           xFract="-0.00066114"
                           y3="4.21525"
                           yFract="0.4994372"
                           z3="8.46541"
                           zFract="0.38098155"/>
                     <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="2.15124"
                           xFract="0.25488626"
                           y3="6.3975"
                           yFract="0.75799763"
                           z3="4.19224"
                           zFract="0.18866967"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11546"
                           xFract="0.25064692"
                           y3="6.31058"
                           yFract="0.74769905"
                           z3="8.45198"
                           zFract="0.38037714"/>
                     <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="4.19543"
                           xFract="0.49708886"
                           y3="6.27549"
                           yFract="0.74354147"
                           z3="6.32883"
                           zFract="0.28482583"/>
                     <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="6.16648"
                           xFract="0.73062559"
                           y3="4.23445"
                           yFract="0.50171209"
                           z3="6.35719"
                           zFract="0.28610216"/>
                     <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="4.26697"
                           xFract="0.50556517"
                           y3="4.24225"
                           yFract="0.50263626"
                           z3="4.24837"
                           zFract="0.19119577"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22184"
                           xFract="0.50021801"
                           y3="4.20107"
                           yFract="0.49775711"
                           z3="8.42311"
                           zFract="0.37907786"/>
                     <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="6.33822"
                           xFract="0.75097393"
                           y3="6.41914"
                           yFract="0.76056161"
                           z3="4.1030"
                           zFract="0.18465347"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33334"
                           xFract="0.75039573"
                           y3="6.34363"
                           yFract="0.75161493"
                           z3="8.54841"
                           zFract="0.38471692"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a60" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a67" 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="6.33013"
                           xFract="0.7500154"
                           y3="4.22496"
                           yFract="0.50058768"
                           z3="8.42287"
                           zFract="0.37906706"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32237"
                           xFract="0.74909597"
                           y3="-0.00508"
                           yFract="-0.0006019"
                           z3="4.20253"
                           zFract="0.18913276"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.01914"
                           xFract="0.00226777"
                           y3="6.34675"
                           yFract="0.7519846"
                           z3="4.15289"
                           zFract="0.18689874"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20774"
                           xFract="0.49854739"
                           y3="4.20663"
                           yFract="0.49841588"
                           z3="6.36724"
                           zFract="0.28655446"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.12112"
                           xFract="0.25131754"
                           y3="-0.0220"
                           yFract="-0.00260664"
                           z3="8.41598"
                           zFract="0.37875698"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.23794"
                           xFract="0.50212559"
                           y3="6.32067"
                           yFract="0.74889455"
                           z3="8.38524"
                           zFract="0.37737354"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11941"
                           xFract="0.25111493"
                           y3="0.00701"
                           yFract="0.00083057"
                           z3="4.1921"
                           zFract="0.18866337"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25028"
                           xFract="0.50358768"
                           y3="6.32448"
                           yFract="0.74934597"
                           z3="4.25295"
                           zFract="0.19140189"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.22645"
                           xFract="0.50076422"
                           y3="2.12531"
                           yFract="0.25181398"
                           z3="4.16344"
                           zFract="0.18737354"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34032"
                           xFract="0.75122275"
                           y3="0.00872"
                           yFract="0.00103318"
                           z3="8.41721"
                           zFract="0.37881233"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.07117"
                           xFract="0.24539929"
                           y3="6.3145"
                           yFract="0.74816351"
                           z3="6.31086"
                           zFract="0.2840171"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10063"
                           xFract="0.24888981"
                           y3="4.21108"
                           yFract="0.49894313"
                           z3="8.4312"
                           zFract="0.37944194"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36018"
                           xFract="0.75357583"
                           y3="6.31766"
                           yFract="0.74853791"
                           z3="6.36416"
                           zFract="0.28641584"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.23771"
                           xFract="0.50209834"
                           y3="2.11446"
                           yFract="0.25052844"
                           z3="8.62989"
                           zFract="0.38838389"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.28989"
                           xFract="0.74524763"
                           y3="2.12094"
                           yFract="0.25129621"
                           z3="6.34987"
                           zFract="0.28577273"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3371"
                           xFract="0.75084123"
                           y3="4.22885"
                           yFract="0.50104858"
                           z3="4.2514"
                           zFract="0.19133213"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.00201"
                           xFract="-0.00023815"
                           y3="4.24338"
                           yFract="0.50277014"
                           z3="6.3630"
                           zFract="0.28636364"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1078"
                           xFract="0.24973934"
                           y3="4.24047"
                           yFract="0.50242536"
                           z3="4.23337"
                           zFract="0.1905207"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00491"
                           xFract="-0.00058175"
                           y3="6.32375"
                           yFract="0.74925948"
                           z3="8.61934"
                           zFract="0.38790909"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01344"
                           xFract="0.00159242"
                           y3="2.13066"
                           yFract="0.25244787"
                           z3="4.21028"
                           zFract="0.18948155"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.00596"
                           xFract="-0.00070616"
                           y3="-0.03079"
                           yFract="-0.0036481"
                           z3="6.35731"
                           zFract="0.28610756"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.22063"
                           xFract="0.50007464"
                           y3="0.05485"
                           yFract="0.00649882"
                           z3="6.38283"
                           zFract="0.28725608"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14821"
                           xFract="0.25452725"
                           y3="2.11911"
                           yFract="0.25107938"
                           z3="6.37038"
                           zFract="0.28669577"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02078"
                           xFract="-0.00246209"
                           y3="2.10998"
                           yFract="0.24999763"
                           z3="8.49709"
                           zFract="0.38240729"/>
                     <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="-0.01671"
                           xFract="-0.00197986"
                           y3="2.16902"
                           yFract="0.25699289"
                           z3="6.28072"
                           zFract="0.28266067"/>
                     <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="2.10235"
                           xFract="0.2490936"
                           y3="-0.04021"
                           yFract="-0.00476422"
                           z3="6.33542"
                           zFract="0.28512241"/>
                     <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="-0.01977"
                           xFract="-0.00234242"
                           y3="-0.0365"
                           yFract="-0.00432464"
                           z3="4.18795"
                           zFract="0.1884766"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00007"
                           xFract="-0.00000829"
                           y3="0.0123"
                           yFract="0.00145735"
                           z3="8.4846"
                           zFract="0.38184518"/>
                     <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="2.13774"
                           xFract="0.25328673"
                           y3="2.05208"
                           yFract="0.24313744"
                           z3="4.21478"
                           zFract="0.18968407"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11241"
                           xFract="0.25028555"
                           y3="2.10705"
                           yFract="0.24965047"
                           z3="8.49333"
                           zFract="0.38223807"/>
                     <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="4.23747"
                           xFract="0.50206991"
                           y3="2.17367"
                           yFract="0.25754384"
                           z3="6.19746"
                           zFract="0.27891359"/>
                     <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="6.3336"
                           xFract="0.75042654"
                           y3="-0.01523"
                           yFract="-0.0018045"
                           z3="6.30606"
                           zFract="0.28380108"/>
                     <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="4.24799"
                           xFract="0.50331635"
                           y3="-0.01417"
                           yFract="-0.00167891"
                           z3="4.22835"
                           zFract="0.19029478"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23535"
                           xFract="0.50181872"
                           y3="-0.01013"
                           yFract="-0.00120024"
                           z3="8.48271"
                           zFract="0.38176013"/>
                     <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="6.3170"
                           xFract="0.74845972"
                           y3="2.02645"
                           yFract="0.24010071"
                           z3="4.07043"
                           zFract="0.18318767"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32453"
                           xFract="0.7493519"
                           y3="2.10786"
                           yFract="0.24974645"
                           z3="8.53038"
                           zFract="0.38390549"/>
                     <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="0.00148"
                           xFract="0.00017536"
                           y3="6.2641"
                           yFract="0.74219194"
                           z3="6.14751"
                           zFract="0.27666562"/>
                     <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="2.24928"
                           xFract="0.26650237"
                           y3="4.2451"
                           yFract="0.50297393"
                           z3="6.36414"
                           zFract="0.28641494"/>
                     <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="-0.0382"
                           xFract="-0.00452607"
                           y3="4.26789"
                           yFract="0.50567417"
                           z3="4.1704"
                           zFract="0.18768677"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00553"
                           xFract="-0.00065521"
                           y3="4.21542"
                           yFract="0.49945735"
                           z3="8.46559"
                           zFract="0.38098965"/>
                     <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="2.15141"
                           xFract="0.2549064"
                           y3="6.39742"
                           yFract="0.75798815"
                           z3="4.19218"
                           zFract="0.18866697"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1151"
                           xFract="0.25060427"
                           y3="6.31055"
                           yFract="0.7476955"
                           z3="8.45191"
                           zFract="0.38037399"/>
                     <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="4.19557"
                           xFract="0.49710545"
                           y3="6.27565"
                           yFract="0.74356043"
                           z3="6.32891"
                           zFract="0.28482943"/>
                     <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="6.16511"
                           xFract="0.73046327"
                           y3="4.23447"
                           yFract="0.50171445"
                           z3="6.35709"
                           zFract="0.28609766"/>
                     <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="4.26732"
                           xFract="0.50560664"
                           y3="4.24225"
                           yFract="0.50263626"
                           z3="4.24819"
                           zFract="0.19118767"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22182"
                           xFract="0.50021564"
                           y3="4.20115"
                           yFract="0.49776659"
                           z3="8.4233"
                           zFract="0.37908641"/>
                     <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="6.33828"
                           xFract="0.75098104"
                           y3="6.41955"
                           yFract="0.76061019"
                           z3="4.10239"
                           zFract="0.18462601"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33363"
                           xFract="0.75043009"
                           y3="6.3436"
                           yFract="0.75161137"
                           z3="8.54906"
                           zFract="0.38474617"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a67" 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="6.33009"
                           xFract="0.75001066"
                           y3="4.22497"
                           yFract="0.50058886"
                           z3="8.42333"
                           zFract="0.37908776"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32264"
                           xFract="0.74912796"
                           y3="-0.00527"
                           yFract="-0.00062441"
                           z3="4.20254"
                           zFract="0.18913321"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.01902"
                           xFract="0.00225355"
                           y3="6.34695"
                           yFract="0.75200829"
                           z3="4.15279"
                           zFract="0.18689424"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20766"
                           xFract="0.49853791"
                           y3="4.20641"
                           yFract="0.49838981"
                           z3="6.36725"
                           zFract="0.28655491"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.12113"
                           xFract="0.25131872"
                           y3="-0.02228"
                           yFract="-0.00263981"
                           z3="8.41667"
                           zFract="0.37878803"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.23829"
                           xFract="0.50216706"
                           y3="6.32045"
                           yFract="0.74886848"
                           z3="8.38569"
                           zFract="0.37739379"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11962"
                           xFract="0.25113981"
                           y3="0.0073"
                           yFract="0.00086493"
                           z3="4.19234"
                           zFract="0.18867417"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25072"
                           xFract="0.50363981"
                           y3="6.32464"
                           yFract="0.74936493"
                           z3="4.25299"
                           zFract="0.19140369"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2264"
                           xFract="0.50075829"
                           y3="2.12543"
                           yFract="0.2518282"
                           z3="4.16381"
                           zFract="0.18739019"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34036"
                           xFract="0.75122749"
                           y3="0.0088"
                           yFract="0.00104265"
                           z3="8.41746"
                           zFract="0.37882358"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.07068"
                           xFract="0.24534123"
                           y3="6.31419"
                           yFract="0.74812678"
                           z3="6.3106"
                           zFract="0.2840054"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10072"
                           xFract="0.24890047"
                           y3="4.21098"
                           yFract="0.49893128"
                           z3="8.43162"
                           zFract="0.37946085"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36082"
                           xFract="0.75365166"
                           y3="6.31775"
                           yFract="0.74854858"
                           z3="6.36423"
                           zFract="0.28641899"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.23791"
                           xFract="0.50212204"
                           y3="2.11438"
                           yFract="0.25051896"
                           z3="8.6317"
                           zFract="0.38846535"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.28984"
                           xFract="0.74524171"
                           y3="2.12091"
                           yFract="0.25129265"
                           z3="6.34969"
                           zFract="0.28576463"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33741"
                           xFract="0.75087796"
                           y3="4.22918"
                           yFract="0.50108768"
                           z3="4.25192"
                           zFract="0.19135554"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.00225"
                           xFract="-0.00026659"
                           y3="4.24345"
                           yFract="0.50277844"
                           z3="6.36294"
                           zFract="0.28636094"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10767"
                           xFract="0.24972393"
                           y3="4.24055"
                           yFract="0.50243483"
                           z3="4.23363"
                           zFract="0.1905324"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.0050"
                           xFract="-0.00059242"
                           y3="6.32383"
                           yFract="0.74926896"
                           z3="8.62114"
                           zFract="0.3879901"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01388"
                           xFract="0.00164455"
                           y3="2.13082"
                           yFract="0.25246682"
                           z3="4.21035"
                           zFract="0.1894847"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.00643"
                           xFract="-0.00076185"
                           y3="-0.03108"
                           yFract="-0.00368246"
                           z3="6.35748"
                           zFract="0.28611521"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.22095"
                           xFract="0.50011256"
                           y3="0.05585"
                           yFract="0.0066173"
                           z3="6.38302"
                           zFract="0.28726463"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14839"
                           xFract="0.25454858"
                           y3="2.11907"
                           yFract="0.25107464"
                           z3="6.37057"
                           zFract="0.28670432"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02112"
                           xFract="-0.00250237"
                           y3="2.10985"
                           yFract="0.24998223"
                           z3="8.49775"
                           zFract="0.38243699"/>
                     <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="-0.01711"
                           xFract="-0.00202725"
                           y3="2.17007"
                           yFract="0.2571173"
                           z3="6.28088"
                           zFract="0.28266787"/>
                     <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="2.10243"
                           xFract="0.24910308"
                           y3="-0.03997"
                           yFract="-0.00473578"
                           z3="6.33536"
                           zFract="0.28511971"/>
                     <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="-0.01979"
                           xFract="-0.00234479"
                           y3="-0.03642"
                           yFract="-0.00431517"
                           z3="4.18802"
                           zFract="0.18847975"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00025"
                           xFract="0.00002962"
                           y3="0.01198"
                           yFract="0.00141943"
                           z3="8.48449"
                           zFract="0.38184023"/>
                     <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="2.13763"
                           xFract="0.2532737"
                           y3="2.05208"
                           yFract="0.24313744"
                           z3="4.21499"
                           zFract="0.18969352"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11211"
                           xFract="0.25025"
                           y3="2.10694"
                           yFract="0.24963744"
                           z3="8.49358"
                           zFract="0.38224932"/>
                     <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="4.23784"
                           xFract="0.50211374"
                           y3="2.17358"
                           yFract="0.25753318"
                           z3="6.19708"
                           zFract="0.27889649"/>
                     <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="6.33347"
                           xFract="0.75041114"
                           y3="-0.01531"
                           yFract="-0.00181398"
                           z3="6.30606"
                           zFract="0.28380108"/>
                     <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="4.24816"
                           xFract="0.50333649"
                           y3="-0.01403"
                           yFract="-0.00166232"
                           z3="4.22857"
                           zFract="0.19030468"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23521"
                           xFract="0.50180213"
                           y3="-0.01051"
                           yFract="-0.00124526"
                           z3="8.48249"
                           zFract="0.38175023"/>
                     <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="6.31708"
                           xFract="0.74846919"
                           y3="2.02577"
                           yFract="0.24002014"
                           z3="4.0687"
                           zFract="0.18310981"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32495"
                           xFract="0.74940166"
                           y3="2.10791"
                           yFract="0.24975237"
                           z3="8.53191"
                           zFract="0.38397435"/>
                     <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="0.00144"
                           xFract="0.00017062"
                           y3="6.26295"
                           yFract="0.74205569"
                           z3="6.14583"
                           zFract="0.27659001"/>
                     <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="2.25138"
                           xFract="0.26675118"
                           y3="4.24478"
                           yFract="0.50293602"
                           z3="6.36385"
                           zFract="0.28640189"/>
                     <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="-0.03867"
                           xFract="-0.00458175"
                           y3="4.26818"
                           yFract="0.50570853"
                           z3="4.1701"
                           zFract="0.18767327"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00543"
                           xFract="-0.00064336"
                           y3="4.21577"
                           yFract="0.49949882"
                           z3="8.46595"
                           zFract="0.38100585"/>
                     <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="2.15177"
                           xFract="0.25494905"
                           y3="6.39727"
                           yFract="0.75797038"
                           z3="4.19207"
                           zFract="0.18866202"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1144"
                           xFract="0.25052133"
                           y3="6.3105"
                           yFract="0.74768957"
                           z3="8.45176"
                           zFract="0.38036724"/>
                     <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="4.19585"
                           xFract="0.49713863"
                           y3="6.27598"
                           yFract="0.74359953"
                           z3="6.32908"
                           zFract="0.28483708"/>
                     <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="6.16237"
                           xFract="0.73013863"
                           y3="4.23453"
                           yFract="0.50172156"
                           z3="6.35689"
                           zFract="0.28608866"/>
                     <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="4.26801"
                           xFract="0.50568839"
                           y3="4.24224"
                           yFract="0.50263507"
                           z3="4.24784"
                           zFract="0.19117192"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22179"
                           xFract="0.50021209"
                           y3="4.2013"
                           yFract="0.49778436"
                           z3="8.42369"
                           zFract="0.37910396"/>
                     <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="6.33841"
                           xFract="0.75099645"
                           y3="6.42037"
                           yFract="0.76070735"
                           z3="4.10118"
                           zFract="0.18457156"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33421"
                           xFract="0.75049882"
                           y3="6.34354"
                           yFract="0.75160427"
                           z3="8.55037"
                           zFract="0.38480513"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a67" 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="6.33002"
                           xFract="0.75000237"
                           y3="4.22498"
                           yFract="0.50059005"
                           z3="8.42423"
                           zFract="0.37912826"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32318"
                           xFract="0.74919194"
                           y3="-0.00565"
                           yFract="-0.00066943"
                           z3="4.20257"
                           zFract="0.18913456"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.01879"
                           xFract="0.0022263"
                           y3="6.34735"
                           yFract="0.75205569"
                           z3="4.15259"
                           zFract="0.18688524"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20751"
                           xFract="0.49852014"
                           y3="4.20598"
                           yFract="0.49833886"
                           z3="6.36727"
                           zFract="0.28655581"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.12116"
                           xFract="0.25132227"
                           y3="-0.02285"
                           yFract="-0.00270735"
                           z3="8.41807"
                           zFract="0.37885104"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.23897"
                           xFract="0.50224763"
                           y3="6.32002"
                           yFract="0.74881754"
                           z3="8.38659"
                           zFract="0.37743429"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12005"
                           xFract="0.25119076"
                           y3="0.00787"
                           yFract="0.00093246"
                           z3="4.19281"
                           zFract="0.18869532"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2516"
                           xFract="0.50374408"
                           y3="6.32496"
                           yFract="0.74940284"
                           z3="4.25308"
                           zFract="0.19140774"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2263"
                           xFract="0.50074645"
                           y3="2.12567"
                           yFract="0.25185664"
                           z3="4.16456"
                           zFract="0.18742394"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34045"
                           xFract="0.75123815"
                           y3="0.00895"
                           yFract="0.00106043"
                           z3="8.41797"
                           zFract="0.37884653"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.06968"
                           xFract="0.24522275"
                           y3="6.31358"
                           yFract="0.7480545"
                           z3="6.31007"
                           zFract="0.28398155"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10091"
                           xFract="0.24892299"
                           y3="4.21077"
                           yFract="0.4989064"
                           z3="8.43245"
                           zFract="0.3794982"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36209"
                           xFract="0.75380213"
                           y3="6.31792"
                           yFract="0.74856872"
                           z3="6.36438"
                           zFract="0.28642574"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.23831"
                           xFract="0.50216943"
                           y3="2.11421"
                           yFract="0.25049882"
                           z3="8.6353"
                           zFract="0.38862736"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.28974"
                           xFract="0.74522986"
                           y3="2.12085"
                           yFract="0.25128555"
                           z3="6.34934"
                           zFract="0.28574887"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33803"
                           xFract="0.75095142"
                           y3="4.22984"
                           yFract="0.50116588"
                           z3="4.25298"
                           zFract="0.19140324"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.00274"
                           xFract="-0.00032464"
                           y3="4.24361"
                           yFract="0.50279739"
                           z3="6.36283"
                           zFract="0.28635599"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10739"
                           xFract="0.24969076"
                           y3="4.2407"
                           yFract="0.50245261"
                           z3="4.23415"
                           zFract="0.19055581"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00518"
                           xFract="-0.00061374"
                           y3="6.3240"
                           yFract="0.7492891"
                           z3="8.62472"
                           zFract="0.38815122"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01475"
                           xFract="0.00174763"
                           y3="2.13114"
                           yFract="0.25250474"
                           z3="4.2105"
                           zFract="0.18949145"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.00738"
                           xFract="-0.00087441"
                           y3="-0.03166"
                           yFract="-0.00375118"
                           z3="6.35782"
                           zFract="0.28613051"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.22158"
                           xFract="0.5001872"
                           y3="0.05786"
                           yFract="0.00685545"
                           z3="6.38339"
                           zFract="0.28728128"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14874"
                           xFract="0.25459005"
                           y3="2.1190"
                           yFract="0.25106635"
                           z3="6.37094"
                           zFract="0.28672097"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.0218"
                           xFract="-0.00258294"
                           y3="2.10958"
                           yFract="0.24995024"
                           z3="8.49907"
                           zFract="0.3824964"/>
                     <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="-0.0179"
                           xFract="-0.00212085"
                           y3="2.17219"
                           yFract="0.25736848"
                           z3="6.2812"
                           zFract="0.28268227"/>
                     <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="2.10258"
                           xFract="0.24912085"
                           y3="-0.03951"
                           yFract="-0.00468128"
                           z3="6.33525"
                           zFract="0.28511476"/>
                     <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="-0.01981"
                           xFract="-0.00234716"
                           y3="-0.03626"
                           yFract="-0.00429621"
                           z3="4.18816"
                           zFract="0.18848605"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0009"
                           xFract="0.00010664"
                           y3="0.01135"
                           yFract="0.00134479"
                           z3="8.48427"
                           zFract="0.38183033"/>
                     <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="2.1374"
                           xFract="0.25324645"
                           y3="2.05209"
                           yFract="0.24313863"
                           z3="4.21541"
                           zFract="0.18971242"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1115"
                           xFract="0.25017773"
                           y3="2.10672"
                           yFract="0.24961137"
                           z3="8.49408"
                           zFract="0.38227183"/>
                     <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="4.23858"
                           xFract="0.50220142"
                           y3="2.1734"
                           yFract="0.25751185"
                           z3="6.19631"
                           zFract="0.27886184"/>
                     <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="6.3332"
                           xFract="0.75037915"
                           y3="-0.01547"
                           yFract="-0.00183294"
                           z3="6.30605"
                           zFract="0.28380063"/>
                     <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="4.2485"
                           xFract="0.50337678"
                           y3="-0.01375"
                           yFract="-0.00162915"
                           z3="4.22901"
                           zFract="0.19032448"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23492"
                           xFract="0.50176777"
                           y3="-0.01127"
                           yFract="-0.00133531"
                           z3="8.48204"
                           zFract="0.38172997"/>
                     <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="6.31723"
                           xFract="0.74848697"
                           y3="2.0244"
                           yFract="0.23985782"
                           z3="4.06524"
                           zFract="0.1829541"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32581"
                           xFract="0.74950355"
                           y3="2.10801"
                           yFract="0.24976422"
                           z3="8.53496"
                           zFract="0.38411161"/>
                     <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="0.00137"
                           xFract="0.00016232"
                           y3="6.26066"
                           yFract="0.74178436"
                           z3="6.14247"
                           zFract="0.27643879"/>
                     <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="2.25556"
                           xFract="0.26724645"
                           y3="4.24415"
                           yFract="0.50286137"
                           z3="6.36327"
                           zFract="0.28637579"/>
                     <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="-0.0396"
                           xFract="-0.00469194"
                           y3="4.26876"
                           yFract="0.50577725"
                           z3="4.16949"
                           zFract="0.18764581"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00524"
                           xFract="-0.00062085"
                           y3="4.21645"
                           yFract="0.49957938"
                           z3="8.46666"
                           zFract="0.3810378"/>
                     <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="2.15247"
                           xFract="0.25503199"
                           y3="6.39696"
                           yFract="0.75793365"
                           z3="4.19185"
                           zFract="0.18865212"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11298"
                           xFract="0.25035308"
                           y3="6.3104"
                           yFract="0.74767773"
                           z3="8.45147"
                           zFract="0.38035419"/>
                     <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="4.19642"
                           xFract="0.49720616"
                           y3="6.27664"
                           yFract="0.74367773"
                           z3="6.32943"
                           zFract="0.28485284"/>
                     <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="6.15689"
                           xFract="0.72948934"
                           y3="4.23463"
                           yFract="0.50173341"
                           z3="6.35649"
                           zFract="0.28607066"/>
                     <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="4.26939"
                           xFract="0.5058519"
                           y3="4.24221"
                           yFract="0.50263152"
                           z3="4.24714"
                           zFract="0.19114041"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22172"
                           xFract="0.50020379"
                           y3="4.20162"
                           yFract="0.49782227"
                           z3="8.42446"
                           zFract="0.37913861"/>
                     <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="6.33866"
                           xFract="0.75102607"
                           y3="6.42201"
                           yFract="0.76090166"
                           z3="4.09876"
                           zFract="0.18446265"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33537"
                           xFract="0.75063626"
                           y3="6.34341"
                           yFract="0.75158886"
                           z3="8.55299"
                           zFract="0.38492304"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a67" 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="6.32987"
                           xFract="0.7499846"
                           y3="4.2250"
                           yFract="0.50059242"
                           z3="8.42603"
                           zFract="0.37920927"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32426"
                           xFract="0.74931991"
                           y3="-0.0064"
                           yFract="-0.00075829"
                           z3="4.20262"
                           zFract="0.18913681"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.01833"
                           xFract="0.0021718"
                           y3="6.34815"
                           yFract="0.75215047"
                           z3="4.15218"
                           zFract="0.18686679"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20722"
                           xFract="0.49848578"
                           y3="4.20513"
                           yFract="0.49823815"
                           z3="6.36731"
                           zFract="0.28655761"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.12121"
                           xFract="0.2513282"
                           y3="-0.02399"
                           yFract="-0.00284242"
                           z3="8.42087"
                           zFract="0.37897705"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.24035"
                           xFract="0.50241114"
                           y3="6.31916"
                           yFract="0.74871564"
                           z3="8.3884"
                           zFract="0.37751575"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1209"
                           xFract="0.25129147"
                           y3="0.00901"
                           yFract="0.00106754"
                           z3="4.19377"
                           zFract="0.18873852"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25337"
                           xFract="0.50395379"
                           y3="6.32559"
                           yFract="0.74947749"
                           z3="4.25325"
                           zFract="0.19141539"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2261"
                           xFract="0.50072275"
                           y3="2.12614"
                           yFract="0.25191232"
                           z3="4.16604"
                           zFract="0.18749055"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34063"
                           xFract="0.75125948"
                           y3="0.00927"
                           yFract="0.00109834"
                           z3="8.41898"
                           zFract="0.37889199"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.06768"
                           xFract="0.24498578"
                           y3="6.31235"
                           yFract="0.74790877"
                           z3="6.30902"
                           zFract="0.28393429"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10128"
                           xFract="0.24896682"
                           y3="4.21035"
                           yFract="0.49885664"
                           z3="8.43412"
                           zFract="0.37957336"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36464"
                           xFract="0.75410427"
                           y3="6.31826"
                           yFract="0.748609"
                           z3="6.36468"
                           zFract="0.28643924"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.23912"
                           xFract="0.5022654"
                           y3="2.11388"
                           yFract="0.25045972"
                           z3="8.64252"
                           zFract="0.3889523"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.28955"
                           xFract="0.74520735"
                           y3="2.12072"
                           yFract="0.25127014"
                           z3="6.34862"
                           zFract="0.28571647"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33928"
                           xFract="0.75109953"
                           y3="4.23117"
                           yFract="0.50132346"
                           z3="4.25508"
                           zFract="0.19149775"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.0037"
                           xFract="-0.00043839"
                           y3="4.24392"
                           yFract="0.50283412"
                           z3="6.36259"
                           zFract="0.28634518"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10685"
                           xFract="0.24962678"
                           y3="4.24101"
                           yFract="0.50248934"
                           z3="4.23518"
                           zFract="0.19060216"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00554"
                           xFract="-0.0006564"
                           y3="6.32433"
                           yFract="0.7493282"
                           z3="8.63189"
                           zFract="0.3884739"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.0165"
                           xFract="0.00195498"
                           y3="2.13179"
                           yFract="0.25258175"
                           z3="4.21079"
                           zFract="0.1895045"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.00928"
                           xFract="-0.00109953"
                           y3="-0.03283"
                           yFract="-0.00388981"
                           z3="6.3585"
                           zFract="0.28616112"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.22285"
                           xFract="0.50033768"
                           y3="0.06186"
                           yFract="0.00732938"
                           z3="6.38414"
                           zFract="0.28731503"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14943"
                           xFract="0.2546718"
                           y3="2.11885"
                           yFract="0.25104858"
                           z3="6.37168"
                           zFract="0.28675428"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02317"
                           xFract="-0.00274526"
                           y3="2.10904"
                           yFract="0.24988626"
                           z3="8.50171"
                           zFract="0.38261521"/>
                     <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="-0.01949"
                           xFract="-0.00230924"
                           y3="2.17642"
                           yFract="0.25786967"
                           z3="6.28182"
                           zFract="0.28271017"/>
                     <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="2.10289"
                           xFract="0.24915758"
                           y3="-0.03857"
                           yFract="-0.00456991"
                           z3="6.33501"
                           zFract="0.28510396"/>
                     <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="-0.01987"
                           xFract="-0.00235427"
                           y3="-0.03593"
                           yFract="-0.00425711"
                           z3="4.18844"
                           zFract="0.18849865"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0022"
                           xFract="0.00026066"
                           y3="0.01007"
                           yFract="0.00119313"
                           z3="8.48383"
                           zFract="0.38181053"/>
                     <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="2.13693"
                           xFract="0.25319076"
                           y3="2.05211"
                           yFract="0.243141"
                           z3="4.21625"
                           zFract="0.18975023"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11028"
                           xFract="0.25003318"
                           y3="2.10627"
                           yFract="0.24955806"
                           z3="8.49508"
                           zFract="0.38231683"/>
                     <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="4.24007"
                           xFract="0.50237796"
                           y3="2.17304"
                           yFract="0.25746919"
                           z3="6.19479"
                           zFract="0.27879343"/>
                     <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="6.33267"
                           xFract="0.75031635"
                           y3="-0.01577"
                           yFract="-0.00186848"
                           z3="6.30603"
                           zFract="0.28379973"/>
                     <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="4.24919"
                           xFract="0.50345853"
                           y3="-0.01319"
                           yFract="-0.0015628"
                           z3="4.22989"
                           zFract="0.19036409"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23435"
                           xFract="0.50170024"
                           y3="-0.01281"
                           yFract="-0.00151777"
                           z3="8.48115"
                           zFract="0.38168992"/>
                     <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="6.31752"
                           xFract="0.74852133"
                           y3="2.02166"
                           yFract="0.23953318"
                           z3="4.05833"
                           zFract="0.18264311"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32752"
                           xFract="0.74970616"
                           y3="2.10821"
                           yFract="0.24978791"
                           z3="8.54106"
                           zFract="0.38438614"/>
                     <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="0.00123"
                           xFract="0.00014573"
                           y3="6.25608"
                           yFract="0.74124171"
                           z3="6.13576"
                           zFract="0.27613681"/>
                     <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="2.26394"
                           xFract="0.26823934"
                           y3="4.24287"
                           yFract="0.50270972"
                           z3="6.3621"
                           zFract="0.28632313"/>
                     <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="-0.04148"
                           xFract="-0.00491469"
                           y3="4.26992"
                           yFract="0.50591469"
                           z3="4.16828"
                           zFract="0.18759136"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00485"
                           xFract="-0.00057464"
                           y3="4.21782"
                           yFract="0.49974171"
                           z3="8.46809"
                           zFract="0.38110216"/>
                     <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="2.15388"
                           xFract="0.25519905"
                           y3="6.39635"
                           yFract="0.75786137"
                           z3="4.1914"
                           zFract="0.18863186"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11015"
                           xFract="0.25001777"
                           y3="6.3102"
                           yFract="0.74765403"
                           z3="8.45089"
                           zFract="0.38032808"/>
                     <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="4.19755"
                           xFract="0.49734005"
                           y3="6.27796"
                           yFract="0.74383412"
                           z3="6.33011"
                           zFract="0.28488344"/>
                     <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="6.14592"
                           xFract="0.72818957"
                           y3="4.23485"
                           yFract="0.50175948"
                           z3="6.35568"
                           zFract="0.2860342"/>
                     <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="4.27214"
                           xFract="0.50617773"
                           y3="4.24217"
                           yFract="0.50262678"
                           z3="4.24573"
                           zFract="0.19107696"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22159"
                           xFract="0.50018839"
                           y3="4.20224"
                           yFract="0.49789573"
                           z3="8.4260"
                           zFract="0.37920792"/>
                     <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="6.33917"
                           xFract="0.75108649"
                           y3="6.4253"
                           yFract="0.76129147"
                           z3="4.0939"
                           zFract="0.18424392"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3377"
                           xFract="0.75091232"
                           y3="6.34316"
                           yFract="0.75155924"
                           z3="8.55823"
                           zFract="0.38515887"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a67" 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="6.32957"
                           xFract="0.74994905"
                           y3="4.22505"
                           yFract="0.50059834"
                           z3="8.42963"
                           zFract="0.37937129"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32641"
                           xFract="0.74957464"
                           y3="-0.00791"
                           yFract="-0.0009372"
                           z3="4.20273"
                           zFract="0.18914176"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.01741"
                           xFract="0.0020628"
                           y3="6.34975"
                           yFract="0.75234005"
                           z3="4.15138"
                           zFract="0.18683078"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20662"
                           xFract="0.49841469"
                           y3="4.20342"
                           yFract="0.49803555"
                           z3="6.36741"
                           zFract="0.28656211"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.12132"
                           xFract="0.25134123"
                           y3="-0.02626"
                           yFract="-0.00311137"
                           z3="8.42645"
                           zFract="0.37922817"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.2431"
                           xFract="0.50273697"
                           y3="6.31743"
                           yFract="0.74851066"
                           z3="8.39201"
                           zFract="0.37767822"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1226"
                           xFract="0.25149289"
                           y3="0.0113"
                           yFract="0.00133886"
                           z3="4.19567"
                           zFract="0.18882403"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2569"
                           xFract="0.50437204"
                           y3="6.32686"
                           yFract="0.74962796"
                           z3="4.25359"
                           zFract="0.19143069"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.22571"
                           xFract="0.50067654"
                           y3="2.12709"
                           yFract="0.25202488"
                           z3="4.16902"
                           zFract="0.18762466"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34099"
                           xFract="0.75130213"
                           y3="0.0099"
                           yFract="0.00117299"
                           z3="8.42101"
                           zFract="0.37898335"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.06369"
                           xFract="0.24451303"
                           y3="6.30989"
                           yFract="0.7476173"
                           z3="6.30692"
                           zFract="0.28383978"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10202"
                           xFract="0.2490545"
                           y3="4.20952"
                           yFract="0.49875829"
                           z3="8.43744"
                           zFract="0.37972277"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36973"
                           xFract="0.75470735"
                           y3="6.31895"
                           yFract="0.74869076"
                           z3="6.36529"
                           zFract="0.2864667"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24073"
                           xFract="0.50245616"
                           y3="2.11322"
                           yFract="0.25038152"
                           z3="8.65695"
                           zFract="0.38960171"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.28917"
                           xFract="0.74516232"
                           y3="2.12046"
                           yFract="0.25123934"
                           z3="6.34719"
                           zFract="0.28565212"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34177"
                           xFract="0.75139455"
                           y3="4.23381"
                           yFract="0.50163626"
                           z3="4.25929"
                           zFract="0.19168722"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.00562"
                           xFract="-0.00066588"
                           y3="4.24454"
                           yFract="0.50290758"
                           z3="6.36213"
                           zFract="0.28632448"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10576"
                           xFract="0.24949763"
                           y3="4.24162"
                           yFract="0.50256161"
                           z3="4.23726"
                           zFract="0.19069577"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00627"
                           xFract="-0.00074289"
                           y3="6.3250"
                           yFract="0.74940758"
                           z3="8.64623"
                           zFract="0.38911926"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.0200"
                           xFract="0.00236967"
                           y3="2.13308"
                           yFract="0.2527346"
                           z3="4.21137"
                           zFract="0.1895306"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01307"
                           xFract="-0.00154858"
                           y3="-0.03516"
                           yFract="-0.00416588"
                           z3="6.35987"
                           zFract="0.28622277"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.22538"
                           xFract="0.50063744"
                           y3="0.06988"
                           yFract="0.00827962"
                           z3="6.38564"
                           zFract="0.28738254"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15082"
                           xFract="0.25483649"
                           y3="2.11854"
                           yFract="0.25101185"
                           z3="6.37315"
                           zFract="0.28682043"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02591"
                           xFract="-0.00306991"
                           y3="2.10796"
                           yFract="0.24975829"
                           z3="8.50698"
                           zFract="0.38285239"/>
                     <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="-0.02268"
                           xFract="-0.0026872"
                           y3="2.18488"
                           yFract="0.25887204"
                           z3="6.28308"
                           zFract="0.28276688"/>
                     <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="2.10351"
                           xFract="0.24923104"
                           y3="-0.0367"
                           yFract="-0.00434834"
                           z3="6.33454"
                           zFract="0.28508281"/>
                     <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="-0.01998"
                           xFract="-0.0023673"
                           y3="-0.03528"
                           yFract="-0.00418009"
                           z3="4.18899"
                           zFract="0.1885234"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0048"
                           xFract="0.00056872"
                           y3="0.00753"
                           yFract="0.00089218"
                           z3="8.48295"
                           zFract="0.38177093"/>
                     <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="2.1360"
                           xFract="0.25308057"
                           y3="2.05215"
                           yFract="0.24314573"
                           z3="4.21792"
                           zFract="0.18982538"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10785"
                           xFract="0.24974526"
                           y3="2.10538"
                           yFract="0.24945261"
                           z3="8.49708"
                           zFract="0.38240684"/>
                     <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="4.24304"
                           xFract="0.50272986"
                           y3="2.17232"
                           yFract="0.25738389"
                           z3="6.19174"
                           zFract="0.27865617"/>
                     <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="6.3316"
                           xFract="0.75018957"
                           y3="-0.01639"
                           yFract="-0.00194194"
                           z3="6.30599"
                           zFract="0.28379793"/>
                     <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="4.25056"
                           xFract="0.50362085"
                           y3="-0.01208"
                           yFract="-0.00143128"
                           z3="4.23165"
                           zFract="0.19044329"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23321"
                           xFract="0.50156517"
                           y3="-0.01587"
                           yFract="-0.00188033"
                           z3="8.47937"
                           zFract="0.38160981"/>
                     <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="6.31812"
                           xFract="0.74859242"
                           y3="2.01618"
                           yFract="0.23888389"
                           z3="4.04451"
                           zFract="0.18202115"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33095"
                           xFract="0.75011256"
                           y3="2.1086"
                           yFract="0.24983412"
                           z3="8.55325"
                           zFract="0.38493474"/>
                     <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="0.00094"
                           xFract="0.00011137"
                           y3="6.24693"
                           yFract="0.74015758"
                           z3="6.12233"
                           zFract="0.2755324"/>
                     <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="2.2807"
                           xFract="0.27022512"
                           y3="4.24033"
                           yFract="0.50240877"
                           z3="6.35976"
                           zFract="0.28621782"/>
                     <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="-0.04522"
                           xFract="-0.00535782"
                           y3="4.27223"
                           yFract="0.50618839"
                           z3="4.16585"
                           zFract="0.187482"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00407"
                           xFract="-0.00048223"
                           y3="4.22056"
                           yFract="0.50006635"
                           z3="8.47094"
                           zFract="0.38123042"/>
                     <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="2.15671"
                           xFract="0.25553436"
                           y3="6.39513"
                           yFract="0.75771682"
                           z3="4.1905"
                           zFract="0.18859136"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10449"
                           xFract="0.24934716"
                           y3="6.30979"
                           yFract="0.74760545"
                           z3="8.44972"
                           zFract="0.38027543"/>
                     <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="4.19982"
                           xFract="0.497609"
                           y3="6.2806"
                           yFract="0.74414692"
                           z3="6.33149"
                           zFract="0.28494554"/>
                     <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="6.12399"
                           xFract="0.72559123"
                           y3="4.23527"
                           yFract="0.50180924"
                           z3="6.35408"
                           zFract="0.2859622"/>
                     <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="4.27766"
                           xFract="0.50683175"
                           y3="4.24207"
                           yFract="0.50261493"
                           z3="4.24292"
                           zFract="0.1909505"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22131"
                           xFract="0.50015521"
                           y3="4.2035"
                           yFract="0.49804502"
                           z3="8.42909"
                           zFract="0.37934698"/>
                     <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="6.34019"
                           xFract="0.75120735"
                           y3="6.43186"
                           yFract="0.76206872"
                           z3="4.0842"
                           zFract="0.18380738"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.34236"
                           xFract="0.75146445"
                           y3="6.34266"
                           yFract="0.7515"
                           z3="8.56871"
                           zFract="0.38563051"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a67" 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="6.32969"
                           xFract="0.74996327"
                           y3="4.22503"
                           yFract="0.50059597"
                           z3="8.42821"
                           zFract="0.37930738"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32556"
                           xFract="0.74947393"
                           y3="-0.00731"
                           yFract="-0.00086611"
                           z3="4.20269"
                           zFract="0.18913996"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.01778"
                           xFract="0.00210664"
                           y3="6.34912"
                           yFract="0.7522654"
                           z3="4.1517"
                           zFract="0.18684518"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20686"
                           xFract="0.49844313"
                           y3="4.2041"
                           yFract="0.49811611"
                           z3="6.36737"
                           zFract="0.28656031"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.12128"
                           xFract="0.25133649"
                           y3="-0.02537"
                           yFract="-0.00300592"
                           z3="8.42425"
                           zFract="0.37912916"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.24202"
                           xFract="0.502609"
                           y3="6.31811"
                           yFract="0.74859123"
                           z3="8.39059"
                           zFract="0.37761431"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12193"
                           xFract="0.25141351"
                           y3="0.0104"
                           yFract="0.00123223"
                           z3="4.19492"
                           zFract="0.18879028"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2555"
                           xFract="0.50420616"
                           y3="6.32636"
                           yFract="0.74956872"
                           z3="4.25345"
                           zFract="0.19142439"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.22586"
                           xFract="0.50069431"
                           y3="2.12671"
                           yFract="0.25197986"
                           z3="4.16785"
                           zFract="0.18757201"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34085"
                           xFract="0.75128555"
                           y3="0.00965"
                           yFract="0.00114336"
                           z3="8.42021"
                           zFract="0.37894734"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.06527"
                           xFract="0.24470024"
                           y3="6.31086"
                           yFract="0.74773223"
                           z3="6.30775"
                           zFract="0.28387714"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10173"
                           xFract="0.24902014"
                           y3="4.20985"
                           yFract="0.49879739"
                           z3="8.43613"
                           zFract="0.37966382"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36772"
                           xFract="0.75446919"
                           y3="6.31868"
                           yFract="0.74865877"
                           z3="6.36505"
                           zFract="0.2864559"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24009"
                           xFract="0.50238033"
                           y3="2.11348"
                           yFract="0.25041232"
                           z3="8.65125"
                           zFract="0.38934518"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.28932"
                           xFract="0.74518009"
                           y3="2.12056"
                           yFract="0.25125118"
                           z3="6.34775"
                           zFract="0.28567732"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34079"
                           xFract="0.75127844"
                           y3="4.23277"
                           yFract="0.50151303"
                           z3="4.25763"
                           zFract="0.19161251"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.00486"
                           xFract="-0.00057583"
                           y3="4.2443"
                           yFract="0.50287915"
                           z3="6.36231"
                           zFract="0.28633258"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10619"
                           xFract="0.24954858"
                           y3="4.24138"
                           yFract="0.50253318"
                           z3="4.23644"
                           zFract="0.19065887"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00598"
                           xFract="-0.00070853"
                           y3="6.32474"
                           yFract="0.74937678"
                           z3="8.64057"
                           zFract="0.38886454"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01862"
                           xFract="0.00220616"
                           y3="2.13257"
                           yFract="0.25267417"
                           z3="4.21114"
                           zFract="0.18952025"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01157"
                           xFract="-0.00137085"
                           y3="-0.03424"
                           yFract="-0.00405687"
                           z3="6.35933"
                           zFract="0.28619847"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.22438"
                           xFract="0.50051896"
                           y3="0.06671"
                           yFract="0.00790403"
                           z3="6.38505"
                           zFract="0.28735599"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15027"
                           xFract="0.25477133"
                           y3="2.11866"
                           yFract="0.25102607"
                           z3="6.37257"
                           zFract="0.28679433"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02483"
                           xFract="-0.00294194"
                           y3="2.10839"
                           yFract="0.24980924"
                           z3="8.5049"
                           zFract="0.38275878"/>
                     <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="-0.02142"
                           xFract="-0.00253791"
                           y3="2.18154"
                           yFract="0.2584763"
                           z3="6.28258"
                           zFract="0.28274437"/>
                     <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="2.10326"
                           xFract="0.24920142"
                           y3="-0.03744"
                           yFract="-0.00443602"
                           z3="6.33473"
                           zFract="0.28509136"/>
                     <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="-0.01994"
                           xFract="-0.00236256"
                           y3="-0.03554"
                           yFract="-0.0042109"
                           z3="4.18877"
                           zFract="0.1885135"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00377"
                           xFract="0.00044668"
                           y3="0.00853"
                           yFract="0.00101066"
                           z3="8.4833"
                           zFract="0.38178668"/>
                     <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="2.13637"
                           xFract="0.25312441"
                           y3="2.05214"
                           yFract="0.24314455"
                           z3="4.21726"
                           zFract="0.18979568"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10881"
                           xFract="0.249859"
                           y3="2.10573"
                           yFract="0.24949408"
                           z3="8.49629"
                           zFract="0.38237129"/>
                     <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="4.24186"
                           xFract="0.50259005"
                           y3="2.1726"
                           yFract="0.25741706"
                           z3="6.19294"
                           zFract="0.27871017"/>
                     <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="6.33202"
                           xFract="0.75023934"
                           y3="-0.01615"
                           yFract="-0.00191351"
                           z3="6.30601"
                           zFract="0.28379883"/>
                     <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="4.25002"
                           xFract="0.50355687"
                           y3="-0.01252"
                           yFract="-0.00148341"
                           z3="4.23095"
                           zFract="0.19041179"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23366"
                           xFract="0.50161848"
                           y3="-0.01466"
                           yFract="-0.00173697"
                           z3="8.48007"
                           zFract="0.38164131"/>
                     <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="6.31788"
                           xFract="0.74856398"
                           y3="2.01835"
                           yFract="0.239141"
                           z3="4.04997"
                           zFract="0.18226688"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32959"
                           xFract="0.74995142"
                           y3="2.10845"
                           yFract="0.24981635"
                           z3="8.54844"
                           zFract="0.38471827"/>
                     <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="0.00105"
                           xFract="0.00012441"
                           y3="6.25054"
                           yFract="0.74058531"
                           z3="6.12763"
                           zFract="0.27577093"/>
                     <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="2.27408"
                           xFract="0.26944076"
                           y3="4.24133"
                           yFract="0.50252725"
                           z3="6.36068"
                           zFract="0.28625923"/>
                     <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="-0.04374"
                           xFract="-0.00518246"
                           y3="4.27132"
                           yFract="0.50608057"
                           z3="4.16681"
                           zFract="0.1875252"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00438"
                           xFract="-0.00051896"
                           y3="4.21948"
                           yFract="0.49993839"
                           z3="8.46981"
                           zFract="0.38117957"/>
                     <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="2.15559"
                           xFract="0.25540166"
                           y3="6.39561"
                           yFract="0.7577737"
                           z3="4.19086"
                           zFract="0.18860756"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10673"
                           xFract="0.24961256"
                           y3="6.30995"
                           yFract="0.74762441"
                           z3="8.45018"
                           zFract="0.38029613"/>
                     <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="4.19892"
                           xFract="0.49750237"
                           y3="6.27956"
                           yFract="0.7440237"
                           z3="6.33095"
                           zFract="0.28492124"/>
                     <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="6.13265"
                           xFract="0.7266173"
                           y3="4.2351"
                           yFract="0.5017891"
                           z3="6.35471"
                           zFract="0.28599055"/>
                     <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="4.27548"
                           xFract="0.50657346"
                           y3="4.24211"
                           yFract="0.50261967"
                           z3="4.24403"
                           zFract="0.19100045"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22142"
                           xFract="0.50016825"
                           y3="4.2030"
                           yFract="0.49798578"
                           z3="8.42787"
                           zFract="0.37929208"/>
                     <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="6.33979"
                           xFract="0.75115995"
                           y3="6.42927"
                           yFract="0.76176185"
                           z3="4.08803"
                           zFract="0.18397975"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.34052"
                           xFract="0.75124645"
                           y3="6.34286"
                           yFract="0.7515237"
                           z3="8.56458"
                           zFract="0.38544464"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a67" 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="6.33239"
                           xFract="0.75028318"
                           y3="4.22837"
                           yFract="0.50099171"
                           z3="8.4298"
                           zFract="0.37937894"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32732"
                           xFract="0.74968246"
                           y3="-0.00547"
                           yFract="-0.0006481"
                           z3="4.19453"
                           zFract="0.18877273"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.01099"
                           xFract="0.00130213"
                           y3="6.34543"
                           yFract="0.7518282"
                           z3="4.1582"
                           zFract="0.18713771"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21143"
                           xFract="0.4989846"
                           y3="4.21431"
                           yFract="0.49932583"
                           z3="6.36752"
                           zFract="0.28656706"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.11872"
                           xFract="0.25103318"
                           y3="-0.02674"
                           yFract="-0.00316825"
                           z3="8.42405"
                           zFract="0.37912016"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.24748"
                           xFract="0.50325592"
                           y3="6.31871"
                           yFract="0.74866232"
                           z3="8.39671"
                           zFract="0.37788974"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12454"
                           xFract="0.25172275"
                           y3="0.00984"
                           yFract="0.00116588"
                           z3="4.19813"
                           zFract="0.18893474"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26417"
                           xFract="0.50523341"
                           y3="6.32991"
                           yFract="0.74998934"
                           z3="4.25176"
                           zFract="0.19134833"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.23082"
                           xFract="0.50128199"
                           y3="2.12745"
                           yFract="0.25206754"
                           z3="4.17504"
                           zFract="0.18789559"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34127"
                           xFract="0.75133531"
                           y3="0.00491"
                           yFract="0.00058175"
                           z3="8.42606"
                           zFract="0.37921062"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.07262"
                           xFract="0.24557109"
                           y3="6.31111"
                           yFract="0.74776185"
                           z3="6.31285"
                           zFract="0.28410666"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10139"
                           xFract="0.24897986"
                           y3="4.20835"
                           yFract="0.49861967"
                           z3="8.43418"
                           zFract="0.37957606"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36852"
                           xFract="0.75456398"
                           y3="6.3176"
                           yFract="0.74853081"
                           z3="6.37248"
                           zFract="0.28679028"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24228"
                           xFract="0.50263981"
                           y3="2.11236"
                           yFract="0.25027962"
                           z3="8.65863"
                           zFract="0.38967732"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.29988"
                           xFract="0.74643128"
                           y3="2.1225"
                           yFract="0.25148104"
                           z3="6.35216"
                           zFract="0.28587579"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34185"
                           xFract="0.75140403"
                           y3="4.23484"
                           yFract="0.50175829"
                           z3="4.2472"
                           zFract="0.19114311"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.01132"
                           xFract="-0.00134123"
                           y3="4.2401"
                           yFract="0.50238152"
                           z3="6.36259"
                           zFract="0.28634518"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10607"
                           xFract="0.24953436"
                           y3="4.23978"
                           yFract="0.5023436"
                           z3="4.23468"
                           zFract="0.19057966"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.0095"
                           xFract="-0.00112559"
                           y3="6.32443"
                           yFract="0.74934005"
                           z3="8.65032"
                           zFract="0.38930333"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01915"
                           xFract="0.00226896"
                           y3="2.13403"
                           yFract="0.25284716"
                           z3="4.20913"
                           zFract="0.18942979"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01571"
                           xFract="-0.00186137"
                           y3="-0.0368"
                           yFract="-0.00436019"
                           z3="6.36142"
                           zFract="0.28629253"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.22914"
                           xFract="0.50108294"
                           y3="0.06401"
                           yFract="0.00758412"
                           z3="6.38293"
                           zFract="0.28726058"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14199"
                           xFract="0.25379028"
                           y3="2.11485"
                           yFract="0.25057464"
                           z3="6.37858"
                           zFract="0.28706481"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02416"
                           xFract="-0.00286256"
                           y3="2.10985"
                           yFract="0.24998223"
                           z3="8.50959"
                           zFract="0.38296985"/>
                     <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="-0.03509"
                           xFract="-0.00415758"
                           y3="2.20181"
                           yFract="0.26087796"
                           z3="6.2916"
                           zFract="0.28315032"/>
                     <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="2.09701"
                           xFract="0.2484609"
                           y3="-0.03789"
                           yFract="-0.00448934"
                           z3="6.33723"
                           zFract="0.28520387"/>
                     <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="-0.01697"
                           xFract="-0.00201066"
                           y3="-0.03323"
                           yFract="-0.0039372"
                           z3="4.19494"
                           zFract="0.18879118"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00652"
                           xFract="0.00077251"
                           y3="0.00027"
                           yFract="0.00003199"
                           z3="8.47847"
                           zFract="0.38156931"/>
                     <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="2.14049"
                           xFract="0.25361256"
                           y3="2.05903"
                           yFract="0.2439609"
                           z3="4.22197"
                           zFract="0.19000765"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10696"
                           xFract="0.24963981"
                           y3="2.10503"
                           yFract="0.24941114"
                           z3="8.50033"
                           zFract="0.38255311"/>
                     <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="4.25106"
                           xFract="0.50368009"
                           y3="2.16963"
                           yFract="0.25706517"
                           z3="6.19157"
                           zFract="0.27864851"/>
                     <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="6.33976"
                           xFract="0.7511564"
                           y3="-0.01162"
                           yFract="-0.00137678"
                           z3="6.30963"
                           zFract="0.28396175"/>
                     <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="4.24802"
                           xFract="0.50331991"
                           y3="-0.00576"
                           yFract="-0.00068246"
                           z3="4.23915"
                           zFract="0.19078083"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23062"
                           xFract="0.50125829"
                           y3="-0.01192"
                           yFract="-0.00141232"
                           z3="8.4848"
                           zFract="0.38185419"/>
                     <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="6.31557"
                           xFract="0.74829028"
                           y3="2.00828"
                           yFract="0.23794787"
                           z3="4.05546"
                           zFract="0.18251395"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32927"
                           xFract="0.74991351"
                           y3="2.1086"
                           yFract="0.24983412"
                           z3="8.56836"
                           zFract="0.38561476"/>
                     <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="0.00286"
                           xFract="0.00033886"
                           y3="6.23416"
                           yFract="0.73864455"
                           z3="6.11932"
                           zFract="0.27539694"/>
                     <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="2.28479"
                           xFract="0.27070972"
                           y3="4.24043"
                           yFract="0.50242062"
                           z3="6.3603"
                           zFract="0.28624212"/>
                     <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="-0.04955"
                           xFract="-0.00587085"
                           y3="4.27195"
                           yFract="0.50615521"
                           z3="4.17153"
                           zFract="0.18773762"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00221"
                           xFract="-0.00026185"
                           y3="4.22631"
                           yFract="0.50074763"
                           z3="8.46423"
                           zFract="0.38092844"/>
                     <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="2.15604"
                           xFract="0.25545498"
                           y3="6.39388"
                           yFract="0.75756872"
                           z3="4.19653"
                           zFract="0.18886274"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.09992"
                           xFract="0.24880569"
                           y3="6.30756"
                           yFract="0.74734123"
                           z3="8.44943"
                           zFract="0.38026238"/>
                     <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="4.19959"
                           xFract="0.49758175"
                           y3="6.28309"
                           yFract="0.74444194"
                           z3="6.33316"
                           zFract="0.2850207"/>
                     <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="6.1191"
                           xFract="0.72501185"
                           y3="4.23352"
                           yFract="0.5016019"
                           z3="6.35672"
                           zFract="0.28608101"/>
                     <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="4.28239"
                           xFract="0.50739218"
                           y3="4.23836"
                           yFract="0.50217536"
                           z3="4.24014"
                           zFract="0.19082538"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21733"
                           xFract="0.49968365"
                           y3="4.20056"
                           yFract="0.49769668"
                           z3="8.4434"
                           zFract="0.379991"/>
                     <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="6.34188"
                           xFract="0.75140758"
                           y3="6.44202"
                           yFract="0.76327251"
                           z3="4.09577"
                           zFract="0.18432808"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.34788"
                           xFract="0.75211848"
                           y3="6.33914"
                           yFract="0.75108294"
                           z3="8.58413"
                           zFract="0.38632448"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a67" 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="6.33363"
                           xFract="0.75043009"
                           y3="4.22991"
                           yFract="0.50117417"
                           z3="8.43053"
                           zFract="0.37941179"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32813"
                           xFract="0.74977844"
                           y3="-0.00463"
                           yFract="-0.00054858"
                           z3="4.19079"
                           zFract="0.18860441"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00788"
                           xFract="0.00093365"
                           y3="6.34373"
                           yFract="0.75162678"
                           z3="4.16118"
                           zFract="0.18727183"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21352"
                           xFract="0.49923223"
                           y3="4.21899"
                           yFract="0.49988033"
                           z3="6.36758"
                           zFract="0.28656976"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.11755"
                           xFract="0.25089455"
                           y3="-0.02737"
                           yFract="-0.00324289"
                           z3="8.42395"
                           zFract="0.37911566"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.24999"
                           xFract="0.50355332"
                           y3="6.31898"
                           yFract="0.74869431"
                           z3="8.39951"
                           zFract="0.37801575"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12573"
                           xFract="0.25186374"
                           y3="0.00959"
                           yFract="0.00113626"
                           z3="4.1996"
                           zFract="0.1890009"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26815"
                           xFract="0.50570498"
                           y3="6.33154"
                           yFract="0.75018246"
                           z3="4.25099"
                           zFract="0.19131368"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.23309"
                           xFract="0.50155095"
                           y3="2.12778"
                           yFract="0.25210664"
                           z3="4.17833"
                           zFract="0.18804365"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34147"
                           xFract="0.751359"
                           y3="0.00274"
                           yFract="0.00032464"
                           z3="8.42874"
                           zFract="0.37933123"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.07599"
                           xFract="0.24597038"
                           y3="6.31123"
                           yFract="0.74777607"
                           z3="6.31519"
                           zFract="0.28421197"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10123"
                           xFract="0.2489609"
                           y3="4.20766"
                           yFract="0.49853791"
                           z3="8.43329"
                           zFract="0.379536"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.36888"
                           xFract="0.75460664"
                           y3="6.31711"
                           yFract="0.74847275"
                           z3="6.37588"
                           zFract="0.28694329"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24329"
                           xFract="0.50275948"
                           y3="2.11184"
                           yFract="0.25021801"
                           z3="8.66202"
                           zFract="0.38982988"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.30472"
                           xFract="0.74700474"
                           y3="2.12339"
                           yFract="0.25158649"
                           z3="6.35418"
                           zFract="0.2859667"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34234"
                           xFract="0.75146209"
                           y3="4.2358"
                           yFract="0.50187204"
                           z3="4.24241"
                           zFract="0.19092754"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.01429"
                           xFract="-0.00169313"
                           y3="4.23817"
                           yFract="0.50215284"
                           z3="6.36271"
                           zFract="0.28635059"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10601"
                           xFract="0.24952725"
                           y3="4.23904"
                           yFract="0.50225592"
                           z3="4.23387"
                           zFract="0.1905432"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.01112"
                           xFract="-0.00131754"
                           y3="6.32429"
                           yFract="0.74932346"
                           z3="8.6548"
                           zFract="0.38950495"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.0194"
                           xFract="0.00229858"
                           y3="2.1347"
                           yFract="0.25292654"
                           z3="4.2082"
                           zFract="0.18938794"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01761"
                           xFract="-0.00208649"
                           y3="-0.03798"
                           yFract="-0.0045"
                           z3="6.36237"
                           zFract="0.28633528"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.23133"
                           xFract="0.50134242"
                           y3="0.06277"
                           yFract="0.0074372"
                           z3="6.38196"
                           zFract="0.28721692"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13819"
                           xFract="0.25334005"
                           y3="2.1131"
                           yFract="0.2503673"
                           z3="6.38134"
                           zFract="0.28718902"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02386"
                           xFract="-0.00282701"
                           y3="2.11052"
                           yFract="0.25006161"
                           z3="8.51175"
                           zFract="0.38306706"/>
                     <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="-0.04136"
                           xFract="-0.00490047"
                           y3="2.21111"
                           yFract="0.26197986"
                           z3="6.29574"
                           zFract="0.28333663"/>
                     <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="2.09413"
                           xFract="0.24811967"
                           y3="-0.0381"
                           yFract="-0.00451422"
                           z3="6.33838"
                           zFract="0.28525563"/>
                     <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="-0.01561"
                           xFract="-0.00184953"
                           y3="-0.03217"
                           yFract="-0.00381161"
                           z3="4.19776"
                           zFract="0.18891809"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00779"
                           xFract="0.00092299"
                           y3="-0.00352"
                           yFract="-0.00041706"
                           z3="8.47625"
                           zFract="0.3814694"/>
                     <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="2.14238"
                           xFract="0.25383649"
                           y3="2.06219"
                           yFract="0.24433531"
                           z3="4.22414"
                           zFract="0.19010531"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10611"
                           xFract="0.2495391"
                           y3="2.10471"
                           yFract="0.24937322"
                           z3="8.50219"
                           zFract="0.38263681"/>
                     <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="4.25528"
                           xFract="0.50418009"
                           y3="2.16827"
                           yFract="0.25690403"
                           z3="6.19094"
                           zFract="0.27862016"/>
                     <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="6.34331"
                           xFract="0.75157701"
                           y3="-0.00955"
                           yFract="-0.00113152"
                           z3="6.31129"
                           zFract="0.28403645"/>
                     <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="4.2471"
                           xFract="0.5032109"
                           y3="-0.00265"
                           yFract="-0.00031398"
                           z3="4.24292"
                           zFract="0.1909505"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22922"
                           xFract="0.50109242"
                           y3="-0.01066"
                           yFract="-0.00126303"
                           z3="8.48696"
                           zFract="0.3819514"/>
                     <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="6.31451"
                           xFract="0.74816469"
                           y3="2.00366"
                           yFract="0.23740047"
                           z3="4.05798"
                           zFract="0.18262736"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32912"
                           xFract="0.74989573"
                           y3="2.10867"
                           yFract="0.24984242"
                           z3="8.5775"
                           zFract="0.3860261"/>
                     <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="0.00368"
                           xFract="0.00043602"
                           y3="6.22665"
                           yFract="0.73775474"
                           z3="6.11551"
                           zFract="0.27522547"/>
                     <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="2.2897"
                           xFract="0.27129147"
                           y3="4.24001"
                           yFract="0.50237085"
                           z3="6.36013"
                           zFract="0.28623447"/>
                     <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="-0.05221"
                           xFract="-0.00618602"
                           y3="4.27224"
                           yFract="0.50618957"
                           z3="4.17369"
                           zFract="0.18783483"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00121"
                           xFract="-0.00014336"
                           y3="4.22945"
                           yFract="0.50111967"
                           z3="8.46167"
                           zFract="0.38081323"/>
                     <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="2.15624"
                           xFract="0.25547867"
                           y3="6.39308"
                           yFract="0.75747393"
                           z3="4.19913"
                           zFract="0.18897975"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.0968"
                           xFract="0.24843602"
                           y3="6.30646"
                           yFract="0.7472109"
                           z3="8.44908"
                           zFract="0.38024662"/>
                     <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="4.1999"
                           xFract="0.49761848"
                           y3="6.28472"
                           yFract="0.74463507"
                           z3="6.33418"
                           zFract="0.28506661"/>
                     <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="6.11289"
                           xFract="0.72427607"
                           y3="4.2328"
                           yFract="0.50151659"
                           z3="6.35764"
                           zFract="0.28612241"/>
                     <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="4.28556"
                           xFract="0.50776777"
                           y3="4.23665"
                           yFract="0.50197275"
                           z3="4.23836"
                           zFract="0.19074527"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21546"
                           xFract="0.49946209"
                           y3="4.19944"
                           yFract="0.49756398"
                           z3="8.45053"
                           zFract="0.38031188"/>
                     <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="6.34285"
                           xFract="0.75152251"
                           y3="6.44786"
                           yFract="0.76396445"
                           z3="4.09933"
                           zFract="0.1844883"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.35125"
                           xFract="0.75251777"
                           y3="6.33744"
                           yFract="0.75088152"
                           z3="8.5931"
                           zFract="0.38672817"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a42" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a67" 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="6.33304"
                           xFract="0.75036019"
                           y3="4.22987"
                           yFract="0.50116943"
                           z3="8.43305"
                           zFract="0.3795252"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3269"
                           xFract="0.7496327"
                           y3="0.00213"
                           yFract="0.00025237"
                           z3="4.19244"
                           zFract="0.18867867"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00731"
                           xFract="0.00086611"
                           y3="6.3429"
                           yFract="0.75152844"
                           z3="4.15668"
                           zFract="0.18706931"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20423"
                           xFract="0.49813152"
                           y3="4.20996"
                           yFract="0.49881043"
                           z3="6.37348"
                           zFract="0.28683528"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.11636"
                           xFract="0.25075355"
                           y3="-0.02924"
                           yFract="-0.00346445"
                           z3="8.42063"
                           zFract="0.37896625"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.25014"
                           xFract="0.50357109"
                           y3="6.31782"
                           yFract="0.74855687"
                           z3="8.40842"
                           zFract="0.37841674"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1255"
                           xFract="0.25183649"
                           y3="0.00944"
                           yFract="0.00111848"
                           z3="4.2007"
                           zFract="0.18905041"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2704"
                           xFract="0.50597156"
                           y3="6.33273"
                           yFract="0.75032346"
                           z3="4.24981"
                           zFract="0.19126058"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.23701"
                           xFract="0.5020154"
                           y3="2.12936"
                           yFract="0.25229384"
                           z3="4.18003"
                           zFract="0.18812016"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34225"
                           xFract="0.75145142"
                           y3="0.00197"
                           yFract="0.00023341"
                           z3="8.43603"
                           zFract="0.37965932"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.0798"
                           xFract="0.2464218"
                           y3="6.31004"
                           yFract="0.74763507"
                           z3="6.31997"
                           zFract="0.28442709"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10323"
                           xFract="0.24919787"
                           y3="4.20799"
                           yFract="0.49857701"
                           z3="8.42876"
                           zFract="0.37933213"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37057"
                           xFract="0.75480687"
                           y3="6.31405"
                           yFract="0.74811019"
                           z3="6.38534"
                           zFract="0.28736904"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24484"
                           xFract="0.50294313"
                           y3="2.11275"
                           yFract="0.25032583"
                           z3="8.66056"
                           zFract="0.38976418"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.30565"
                           xFract="0.74711493"
                           y3="2.12669"
                           yFract="0.25197749"
                           z3="6.3631"
                           zFract="0.28636814"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33936"
                           xFract="0.751109"
                           y3="4.23563"
                           yFract="0.5018519"
                           z3="4.23398"
                           zFract="0.19054815"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.01758"
                           xFract="-0.00208294"
                           y3="4.2419"
                           yFract="0.50259479"
                           z3="6.36151"
                           zFract="0.28629658"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10929"
                           xFract="0.24991588"
                           y3="4.23905"
                           yFract="0.50225711"
                           z3="4.23439"
                           zFract="0.19056661"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00939"
                           xFract="-0.00111256"
                           y3="6.32256"
                           yFract="0.74911848"
                           z3="8.65612"
                           zFract="0.38956436"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01786"
                           xFract="0.00211611"
                           y3="2.13508"
                           yFract="0.25297156"
                           z3="4.20835"
                           zFract="0.18939469"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01768"
                           xFract="-0.00209479"
                           y3="-0.04554"
                           yFract="-0.00539573"
                           z3="6.36143"
                           zFract="0.28629298"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.23568"
                           xFract="0.50185782"
                           y3="0.05938"
                           yFract="0.00703555"
                           z3="6.38256"
                           zFract="0.28724392"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13847"
                           xFract="0.25337322"
                           y3="2.11271"
                           yFract="0.25032109"
                           z3="6.38558"
                           zFract="0.28737984"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02502"
                           xFract="-0.00296445"
                           y3="2.11141"
                           yFract="0.25016706"
                           z3="8.5168"
                           zFract="0.38329433"/>
                     <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="-0.05003"
                           xFract="-0.00592773"
                           y3="2.22345"
                           yFract="0.26344194"
                           z3="6.30263"
                           zFract="0.28364671"/>
                     <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="2.08636"
                           xFract="0.24719905"
                           y3="-0.03653"
                           yFract="-0.0043282"
                           z3="6.34185"
                           zFract="0.28541179"/>
                     <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="-0.01261"
                           xFract="-0.00149408"
                           y3="-0.02765"
                           yFract="-0.00327607"
                           z3="4.20284"
                           zFract="0.18914671"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00641"
                           xFract="0.00075948"
                           y3="-0.00704"
                           yFract="-0.00083412"
                           z3="8.47256"
                           zFract="0.38130333"/>
                     <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="2.14087"
                           xFract="0.25365758"
                           y3="2.06736"
                           yFract="0.24494787"
                           z3="4.23207"
                           zFract="0.1904622"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10103"
                           xFract="0.2489372"
                           y3="2.10394"
                           yFract="0.24928199"
                           z3="8.50397"
                           zFract="0.38271692"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.26281"
                           xFract="0.50507227"
                           y3="2.1731"
                           yFract="0.2574763"
                           z3="6.20475"
                           zFract="0.27924167"/>
                     <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="6.35105"
                           xFract="0.75249408"
                           y3="-0.00767"
                           yFract="-0.00090877"
                           z3="6.31738"
                           zFract="0.28431053"/>
                     <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="4.24622"
                           xFract="0.50310664"
                           y3="-0.0031"
                           yFract="-0.0003673"
                           z3="4.24838"
                           zFract="0.19119622"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22935"
                           xFract="0.50110782"
                           y3="-0.0102"
                           yFract="-0.00120853"
                           z3="8.4907"
                           zFract="0.38211971"/>
                     <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="6.3200"
                           xFract="0.74881517"
                           y3="1.99585"
                           yFract="0.23647512"
                           z3="4.06671"
                           zFract="0.18302025"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33282"
                           xFract="0.75033412"
                           y3="2.10703"
                           yFract="0.2496481"
                           z3="8.59319"
                           zFract="0.38673222"/>
                     <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="0.00427"
                           xFract="0.00050592"
                           y3="6.21518"
                           yFract="0.73639573"
                           z3="6.12907"
                           zFract="0.27583573"/>
                     <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="2.29296"
                           xFract="0.27167773"
                           y3="4.23885"
                           yFract="0.50223341"
                           z3="6.35859"
                           zFract="0.28616517"/>
                     <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="-0.0593"
                           xFract="-0.00702607"
                           y3="4.26538"
                           yFract="0.50537678"
                           z3="4.17939"
                           zFract="0.18809136"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00066"
                           xFract="-0.0000782"
                           y3="4.2332"
                           yFract="0.50156398"
                           z3="8.45388"
                           zFract="0.38046265"/>
                     <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="2.15793"
                           xFract="0.25567891"
                           y3="6.38914"
                           yFract="0.75700711"
                           z3="4.20255"
                           zFract="0.18913366"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.09741"
                           xFract="0.24850829"
                           y3="6.30645"
                           yFract="0.74720972"
                           z3="8.45023"
                           zFract="0.38029838"/>
                     <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="4.20248"
                           xFract="0.49792417"
                           y3="6.28908"
                           yFract="0.74515166"
                           z3="6.34095"
                           zFract="0.28537129"/>
                     <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="6.12269"
                           xFract="0.7254372"
                           y3="4.23656"
                           yFract="0.50196209"
                           z3="6.36172"
                           zFract="0.28630603"/>
                     <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="4.2941"
                           xFract="0.50877962"
                           y3="4.24178"
                           yFract="0.50258057"
                           z3="4.23626"
                           zFract="0.19065077"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21491"
                           xFract="0.49939692"
                           y3="4.2021"
                           yFract="0.49787915"
                           z3="8.46274"
                           zFract="0.38086139"/>
                     <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="6.34412"
                           xFract="0.75167299"
                           y3="6.45764"
                           yFract="0.76512322"
                           z3="4.11029"
                           zFract="0.18498155"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.35016"
                           xFract="0.75238863"
                           y3="6.3373"
                           yFract="0.75086493"
                           z3="8.60981"
                           zFract="0.3874802"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a67" 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="6.33293"
                           xFract="0.75034716"
                           y3="4.22987"
                           yFract="0.50116943"
                           z3="8.43349"
                           zFract="0.379545"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32669"
                           xFract="0.74960782"
                           y3="0.00331"
                           yFract="0.00039218"
                           z3="4.19273"
                           zFract="0.18869172"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00721"
                           xFract="0.00085427"
                           y3="6.34275"
                           yFract="0.75151066"
                           z3="4.15589"
                           zFract="0.18703375"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2026"
                           xFract="0.49793839"
                           y3="4.20837"
                           yFract="0.49862204"
                           z3="6.37452"
                           zFract="0.28688209"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.11615"
                           xFract="0.25072867"
                           y3="-0.02956"
                           yFract="-0.00350237"
                           z3="8.42005"
                           zFract="0.37894014"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.25017"
                           xFract="0.50357464"
                           y3="6.31761"
                           yFract="0.74853199"
                           z3="8.40999"
                           zFract="0.3784874"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12545"
                           xFract="0.25183057"
                           y3="0.00941"
                           yFract="0.00111493"
                           z3="4.2009"
                           zFract="0.18905941"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.27079"
                           xFract="0.50601777"
                           y3="6.33294"
                           yFract="0.75034834"
                           z3="4.24961"
                           zFract="0.19125158"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2377"
                           xFract="0.50209716"
                           y3="2.12963"
                           yFract="0.25232583"
                           z3="4.18033"
                           zFract="0.18813366"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34239"
                           xFract="0.75146801"
                           y3="0.00183"
                           yFract="0.00021682"
                           z3="8.43731"
                           zFract="0.37971692"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.08046"
                           xFract="0.2465"
                           y3="6.30983"
                           yFract="0.74761019"
                           z3="6.32081"
                           zFract="0.2844649"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10359"
                           xFract="0.24924052"
                           y3="4.20805"
                           yFract="0.49858412"
                           z3="8.42796"
                           zFract="0.37929613"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37086"
                           xFract="0.75484123"
                           y3="6.31351"
                           yFract="0.74804621"
                           z3="6.3870"
                           zFract="0.28744374"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24511"
                           xFract="0.50297512"
                           y3="2.11291"
                           yFract="0.25034479"
                           z3="8.6603"
                           zFract="0.38975248"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.30581"
                           xFract="0.74713389"
                           y3="2.12727"
                           yFract="0.25204621"
                           z3="6.36466"
                           zFract="0.28643834"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33884"
                           xFract="0.75104739"
                           y3="4.2356"
                           yFract="0.50184834"
                           z3="4.2325"
                           zFract="0.19048155"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.01816"
                           xFract="-0.00215166"
                           y3="4.24256"
                           yFract="0.50267299"
                           z3="6.3613"
                           zFract="0.28628713"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10987"
                           xFract="0.2499846"
                           y3="4.23905"
                           yFract="0.50225711"
                           z3="4.23449"
                           zFract="0.19057111"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00908"
                           xFract="-0.00107583"
                           y3="6.32226"
                           yFract="0.74908294"
                           z3="8.65635"
                           zFract="0.38957471"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01759"
                           xFract="0.00208412"
                           y3="2.13515"
                           yFract="0.25297986"
                           z3="4.20837"
                           zFract="0.18939559"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.0177"
                           xFract="-0.00209716"
                           y3="-0.04687"
                           yFract="-0.00555332"
                           z3="6.36127"
                           zFract="0.28628578"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.23644"
                           xFract="0.50194787"
                           y3="0.05879"
                           yFract="0.00696564"
                           z3="6.38267"
                           zFract="0.28724887"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13852"
                           xFract="0.25337915"
                           y3="2.11265"
                           yFract="0.25031398"
                           z3="6.38633"
                           zFract="0.28741359"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02523"
                           xFract="-0.00298934"
                           y3="2.11157"
                           yFract="0.25018602"
                           z3="8.51769"
                           zFract="0.38333438"/>
                     <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="-0.05155"
                           xFract="-0.00610782"
                           y3="2.22562"
                           yFract="0.26369905"
                           z3="6.30384"
                           zFract="0.28370117"/>
                     <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="2.0850"
                           xFract="0.24703791"
                           y3="-0.03625"
                           yFract="-0.00429502"
                           z3="6.34245"
                           zFract="0.28543879"/>
                     <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="-0.01209"
                           xFract="-0.00143246"
                           y3="-0.02685"
                           yFract="-0.00318128"
                           z3="4.20373"
                           zFract="0.18918677"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00617"
                           xFract="0.00073104"
                           y3="-0.00766"
                           yFract="-0.00090758"
                           z3="8.47191"
                           zFract="0.38127408"/>
                     <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="2.14061"
                           xFract="0.25362678"
                           y3="2.06827"
                           yFract="0.24505569"
                           z3="4.23346"
                           zFract="0.19052475"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10014"
                           xFract="0.24883175"
                           y3="2.1038"
                           yFract="0.2492654"
                           z3="8.50428"
                           zFract="0.38273087"/>
                     <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="4.26414"
                           xFract="0.50522986"
                           y3="2.17395"
                           yFract="0.25757701"
                           z3="6.20718"
                           zFract="0.27935104"/>
                     <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="6.35241"
                           xFract="0.75265521"
                           y3="-0.00734"
                           yFract="-0.00086967"
                           z3="6.31845"
                           zFract="0.28435869"/>
                     <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="4.24607"
                           xFract="0.50308886"
                           y3="-0.00318"
                           yFract="-0.00037678"
                           z3="4.24934"
                           zFract="0.19123942"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22937"
                           xFract="0.50111019"
                           y3="-0.01012"
                           yFract="-0.00119905"
                           z3="8.49136"
                           zFract="0.38214941"/>
                     <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="6.32097"
                           xFract="0.74893009"
                           y3="1.99448"
                           yFract="0.2363128"
                           z3="4.06824"
                           zFract="0.18308911"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33347"
                           xFract="0.75041114"
                           y3="2.10675"
                           yFract="0.24961493"
                           z3="8.59594"
                           zFract="0.38685599"/>
                     <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="0.00438"
                           xFract="0.00051896"
                           y3="6.21317"
                           yFract="0.73615758"
                           z3="6.13146"
                           zFract="0.27594329"/>
                     <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="2.29353"
                           xFract="0.27174526"
                           y3="4.23864"
                           yFract="0.50220853"
                           z3="6.35832"
                           zFract="0.28615302"/>
                     <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="-0.06055"
                           xFract="-0.00717417"
                           y3="4.26418"
                           yFract="0.5052346"
                           z3="4.18039"
                           zFract="0.18813636"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00057"
                           xFract="-0.00006754"
                           y3="4.23386"
                           yFract="0.50164218"
                           z3="8.45251"
                           zFract="0.38040099"/>
                     <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="2.15822"
                           xFract="0.25571327"
                           y3="6.38845"
                           yFract="0.75692536"
                           z3="4.20314"
                           zFract="0.18916022"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.09751"
                           xFract="0.24852014"
                           y3="6.30644"
                           yFract="0.74720853"
                           z3="8.45043"
                           zFract="0.38030738"/>
                     <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="4.20293"
                           xFract="0.49797749"
                           y3="6.28984"
                           yFract="0.74524171"
                           z3="6.34214"
                           zFract="0.28542484"/>
                     <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="6.12442"
                           xFract="0.72564218"
                           y3="4.23722"
                           yFract="0.50204028"
                           z3="6.36243"
                           zFract="0.28633798"/>
                     <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="4.2956"
                           xFract="0.50895735"
                           y3="4.24268"
                           yFract="0.5026872"
                           z3="4.23589"
                           zFract="0.19063411"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21481"
                           xFract="0.49938507"
                           y3="4.20257"
                           yFract="0.49793483"
                           z3="8.46489"
                           zFract="0.38095815"/>
                     <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="6.34435"
                           xFract="0.75170024"
                           y3="6.45936"
                           yFract="0.76532701"
                           z3="4.11222"
                           zFract="0.18506841"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.34997"
                           xFract="0.75236611"
                           y3="6.33727"
                           yFract="0.75086137"
                           z3="8.61274"
                           zFract="0.38761206"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a67" 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="6.33065"
                           xFract="0.75007701"
                           y3="4.22949"
                           yFract="0.50112441"
                           z3="8.43925"
                           zFract="0.37980423"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32818"
                           xFract="0.74978436"
                           y3="0.00361"
                           yFract="0.00042773"
                           z3="4.20085"
                           zFract="0.18905716"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00873"
                           xFract="0.00103436"
                           y3="6.34149"
                           yFract="0.75136137"
                           z3="4.16558"
                           zFract="0.18746985"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.22247"
                           xFract="0.50029265"
                           y3="4.20898"
                           yFract="0.49869431"
                           z3="6.38182"
                           zFract="0.28721062"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.11565"
                           xFract="0.25066943"
                           y3="-0.03093"
                           yFract="-0.00366469"
                           z3="8.41907"
                           zFract="0.37889604"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.2492"
                           xFract="0.50345972"
                           y3="6.31682"
                           yFract="0.74843839"
                           z3="8.42117"
                           zFract="0.37899055"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12351"
                           xFract="0.25160071"
                           y3="0.01063"
                           yFract="0.00125948"
                           z3="4.20218"
                           zFract="0.18911701"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.27106"
                           xFract="0.50604976"
                           y3="6.33293"
                           yFract="0.75034716"
                           z3="4.25308"
                           zFract="0.19140774"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.23988"
                           xFract="0.50235545"
                           y3="2.13197"
                           yFract="0.25260308"
                           z3="4.18453"
                           zFract="0.18832268"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34365"
                           xFract="0.7516173"
                           y3="0.00257"
                           yFract="0.0003045"
                           z3="8.44647"
                           zFract="0.38012916"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.08105"
                           xFract="0.24656991"
                           y3="6.30944"
                           yFract="0.74756398"
                           z3="6.3232"
                           zFract="0.28457246"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10497"
                           xFract="0.24940403"
                           y3="4.20825"
                           yFract="0.49860782"
                           z3="8.42668"
                           zFract="0.37923852"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37172"
                           xFract="0.75494313"
                           y3="6.31072"
                           yFract="0.74771564"
                           z3="6.3972"
                           zFract="0.28790279"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24604"
                           xFract="0.50308531"
                           y3="2.11382"
                           yFract="0.25045261"
                           z3="8.65928"
                           zFract="0.38970657"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3063"
                           xFract="0.74719194"
                           y3="2.13125"
                           yFract="0.25251777"
                           z3="6.37713"
                           zFract="0.28699955"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33626"
                           xFract="0.75074171"
                           y3="4.23667"
                           yFract="0.50197512"
                           z3="4.23116"
                           zFract="0.19042124"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.01943"
                           xFract="-0.00230213"
                           y3="4.24351"
                           yFract="0.50278555"
                           z3="6.35641"
                           zFract="0.28606706"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11311"
                           xFract="0.25036848"
                           y3="4.24028"
                           yFract="0.50240284"
                           z3="4.2353"
                           zFract="0.19060756"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00655"
                           xFract="-0.00077607"
                           y3="6.32125"
                           yFract="0.74896327"
                           z3="8.65516"
                           zFract="0.38952115"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.0173"
                           xFract="0.00204976"
                           y3="2.13458"
                           yFract="0.25291232"
                           z3="4.21368"
                           zFract="0.18963456"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01693"
                           xFract="-0.00200592"
                           y3="-0.05611"
                           yFract="-0.0066481"
                           z3="6.35914"
                           zFract="0.28618992"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.24082"
                           xFract="0.50246682"
                           y3="0.05329"
                           yFract="0.00631398"
                           z3="6.38719"
                           zFract="0.2874523"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13785"
                           xFract="0.25329976"
                           y3="2.11091"
                           yFract="0.25010782"
                           z3="6.38923"
                           zFract="0.2875441"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02693"
                           xFract="-0.00319076"
                           y3="2.11094"
                           yFract="0.25011137"
                           z3="8.52146"
                           zFract="0.38350405"/>
                     <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="-0.05674"
                           xFract="-0.00672275"
                           y3="2.23363"
                           yFract="0.2646481"
                           z3="6.31019"
                           zFract="0.28398695"/>
                     <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="2.08062"
                           xFract="0.24651896"
                           y3="-0.03366"
                           yFract="-0.00398815"
                           z3="6.34398"
                           zFract="0.28550765"/>
                     <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="-0.01032"
                           xFract="-0.00122275"
                           y3="-0.0214"
                           yFract="-0.00253555"
                           z3="4.20533"
                           zFract="0.18925878"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00503"
                           xFract="0.00059597"
                           y3="-0.00997"
                           yFract="-0.00118128"
                           z3="8.47112"
                           zFract="0.38123852"/>
                     <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="2.14121"
                           xFract="0.25369787"
                           y3="2.07167"
                           yFract="0.24545853"
                           z3="4.24364"
                           zFract="0.1909829"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.0944"
                           xFract="0.24815166"
                           y3="2.10443"
                           yFract="0.24934005"
                           z3="8.5036"
                           zFract="0.38270027"/>
                     <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="4.2682"
                           xFract="0.5057109"
                           y3="2.17919"
                           yFract="0.25819787"
                           z3="6.22127"
                           zFract="0.27998515"/>
                     <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="6.35579"
                           xFract="0.75305569"
                           y3="-0.00866"
                           yFract="-0.00102607"
                           z3="6.32518"
                           zFract="0.28466157"/>
                     <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="4.24572"
                           xFract="0.50304739"
                           y3="-0.00256"
                           yFract="-0.00030332"
                           z3="4.25715"
                           zFract="0.19159091"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22981"
                           xFract="0.50116232"
                           y3="-0.00933"
                           yFract="-0.00110545"
                           z3="8.49222"
                           zFract="0.38218812"/>
                     <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="6.32354"
                           xFract="0.7492346"
                           y3="1.99055"
                           yFract="0.23584716"
                           z3="4.07278"
                           zFract="0.18329343"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33907"
                           xFract="0.75107464"
                           y3="2.10503"
                           yFract="0.24941114"
                           z3="8.61147"
                           zFract="0.38755491"/>
                     <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="0.00644"
                           xFract="0.00076303"
                           y3="6.21056"
                           yFract="0.73584834"
                           z3="6.14715"
                           zFract="0.27664941"/>
                     <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="2.28473"
                           xFract="0.27070261"
                           y3="4.23521"
                           yFract="0.50180213"
                           z3="6.35781"
                           zFract="0.28613006"/>
                     <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="-0.07072"
                           xFract="-0.00837915"
                           y3="4.25658"
                           yFract="0.50433412"
                           z3="4.18414"
                           zFract="0.18830513"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00049"
                           xFract="-0.00005806"
                           y3="4.23785"
                           yFract="0.50211493"
                           z3="8.44571"
                           zFract="0.38009496"/>
                     <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="2.16024"
                           xFract="0.25595261"
                           y3="6.38433"
                           yFract="0.7564372"
                           z3="4.20461"
                           zFract="0.18922637"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1020"
                           xFract="0.24905213"
                           y3="6.30655"
                           yFract="0.74722156"
                           z3="8.45315"
                           zFract="0.38042979"/>
                     <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="4.20544"
                           xFract="0.49827488"
                           y3="6.28787"
                           yFract="0.74500829"
                           z3="6.35071"
                           zFract="0.28581053"/>
                     <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="6.12733"
                           xFract="0.72598697"
                           y3="4.24169"
                           yFract="0.50256991"
                           z3="6.36644"
                           zFract="0.28651845"/>
                     <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="4.30587"
                           xFract="0.51017417"
                           y3="4.24663"
                           yFract="0.50315521"
                           z3="4.23546"
                           zFract="0.19061476"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21429"
                           xFract="0.49932346"
                           y3="4.20499"
                           yFract="0.49822156"
                           z3="8.47459"
                           zFract="0.38139469"/>
                     <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="6.34539"
                           xFract="0.75182346"
                           y3="6.47059"
                           yFract="0.76665758"
                           z3="4.11837"
                           zFract="0.18534518"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.34573"
                           xFract="0.75186374"
                           y3="6.33832"
                           yFract="0.75098578"
                           z3="8.62952"
                           zFract="0.38836724"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a67" 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="6.3308"
                           xFract="0.75009479"
                           y3="4.22952"
                           yFract="0.50112796"
                           z3="8.43887"
                           zFract="0.37978713"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32808"
                           xFract="0.74977251"
                           y3="0.00359"
                           yFract="0.00042536"
                           z3="4.20031"
                           zFract="0.18903285"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00863"
                           xFract="0.00102251"
                           y3="6.34158"
                           yFract="0.75137204"
                           z3="4.16493"
                           zFract="0.18744059"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.22113"
                           xFract="0.50013389"
                           y3="4.20894"
                           yFract="0.49868957"
                           z3="6.38133"
                           zFract="0.28718857"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.11568"
                           xFract="0.25067299"
                           y3="-0.03084"
                           yFract="-0.00365403"
                           z3="8.41913"
                           zFract="0.37889874"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.24926"
                           xFract="0.50346682"
                           y3="6.31687"
                           yFract="0.74844431"
                           z3="8.42042"
                           zFract="0.3789568"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12364"
                           xFract="0.25161611"
                           y3="0.01055"
                           yFract="0.00125"
                           z3="4.20209"
                           zFract="0.18911296"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.27104"
                           xFract="0.50604739"
                           y3="6.33293"
                           yFract="0.75034716"
                           z3="4.25285"
                           zFract="0.19139739"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.23973"
                           xFract="0.50233768"
                           y3="2.13182"
                           yFract="0.25258531"
                           z3="4.18425"
                           zFract="0.18831008"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34357"
                           xFract="0.75160782"
                           y3="0.00252"
                           yFract="0.00029858"
                           z3="8.44586"
                           zFract="0.38010171"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.08101"
                           xFract="0.24656517"
                           y3="6.30946"
                           yFract="0.74756635"
                           z3="6.32304"
                           zFract="0.28456526"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10488"
                           xFract="0.24939336"
                           y3="4.20824"
                           yFract="0.49860664"
                           z3="8.42677"
                           zFract="0.37924257"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37166"
                           xFract="0.75493602"
                           y3="6.31091"
                           yFract="0.74773815"
                           z3="6.39652"
                           zFract="0.28787219"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24598"
                           xFract="0.5030782"
                           y3="2.11375"
                           yFract="0.25044431"
                           z3="8.65935"
                           zFract="0.38970972"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.30627"
                           xFract="0.74718839"
                           y3="2.13098"
                           yFract="0.25248578"
                           z3="6.37629"
                           zFract="0.28696175"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33643"
                           xFract="0.75076185"
                           y3="4.23659"
                           yFract="0.50196564"
                           z3="4.23125"
                           zFract="0.19042529"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.01935"
                           xFract="-0.00229265"
                           y3="4.24345"
                           yFract="0.50277844"
                           z3="6.35673"
                           zFract="0.28608146"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11289"
                           xFract="0.25034242"
                           y3="4.24019"
                           yFract="0.50239218"
                           z3="4.23524"
                           zFract="0.19060486"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00672"
                           xFract="-0.00079621"
                           y3="6.32131"
                           yFract="0.74897038"
                           z3="8.65524"
                           zFract="0.38952475"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01732"
                           xFract="0.00205213"
                           y3="2.13462"
                           yFract="0.25291706"
                           z3="4.21333"
                           zFract="0.18961881"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01698"
                           xFract="-0.00201185"
                           y3="-0.05549"
                           yFract="-0.00657464"
                           z3="6.35928"
                           zFract="0.28619622"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.24052"
                           xFract="0.50243128"
                           y3="0.05366"
                           yFract="0.00635782"
                           z3="6.38689"
                           zFract="0.28743879"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13789"
                           xFract="0.2533045"
                           y3="2.11103"
                           yFract="0.25012204"
                           z3="6.38903"
                           zFract="0.2875351"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02682"
                           xFract="-0.00317773"
                           y3="2.11099"
                           yFract="0.2501173"
                           z3="8.52121"
                           zFract="0.3834928"/>
                     <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="-0.05639"
                           xFract="-0.00668128"
                           y3="2.23309"
                           yFract="0.26458412"
                           z3="6.30976"
                           zFract="0.2839676"/>
                     <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="2.08092"
                           xFract="0.2465545"
                           y3="-0.03384"
                           yFract="-0.00400948"
                           z3="6.34388"
                           zFract="0.28550315"/>
                     <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="-0.01044"
                           xFract="-0.00123697"
                           y3="-0.02176"
                           yFract="-0.0025782"
                           z3="4.20522"
                           zFract="0.18925383"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00511"
                           xFract="0.00060545"
                           y3="-0.00981"
                           yFract="-0.00116232"
                           z3="8.47118"
                           zFract="0.38124122"/>
                     <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="2.14117"
                           xFract="0.25369313"
                           y3="2.07144"
                           yFract="0.24543128"
                           z3="4.24295"
                           zFract="0.19095185"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09478"
                           xFract="0.24819668"
                           y3="2.10439"
                           yFract="0.24933531"
                           z3="8.50364"
                           zFract="0.38270207"/>
                     <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="4.26792"
                           xFract="0.50567773"
                           y3="2.17884"
                           yFract="0.2581564"
                           z3="6.22032"
                           zFract="0.27994239"/>
                     <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="6.35556"
                           xFract="0.75302844"
                           y3="-0.00857"
                           yFract="-0.0010154"
                           z3="6.32473"
                           zFract="0.28464131"/>
                     <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="4.24574"
                           xFract="0.50304976"
                           y3="-0.0026"
                           yFract="-0.00030806"
                           z3="4.25663"
                           zFract="0.19156751"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22978"
                           xFract="0.50115877"
                           y3="-0.00939"
                           yFract="-0.00111256"
                           z3="8.49216"
                           zFract="0.38218542"/>
                     <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="6.32337"
                           xFract="0.74921445"
                           y3="1.99081"
                           yFract="0.23587796"
                           z3="4.07247"
                           zFract="0.18327948"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33869"
                           xFract="0.75102962"
                           y3="2.10514"
                           yFract="0.24942417"
                           z3="8.61042"
                           zFract="0.38750765"/>
                     <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="0.0063"
                           xFract="0.00074645"
                           y3="6.21073"
                           yFract="0.73586848"
                           z3="6.14609"
                           zFract="0.27660171"/>
                     <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="2.28532"
                           xFract="0.27077251"
                           y3="4.23544"
                           yFract="0.50182938"
                           z3="6.35784"
                           zFract="0.28613141"/>
                     <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="-0.07003"
                           xFract="-0.00829739"
                           y3="4.25709"
                           yFract="0.50439455"
                           z3="4.18389"
                           zFract="0.18829388"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0005"
                           xFract="-0.00005924"
                           y3="4.23758"
                           yFract="0.50208294"
                           z3="8.44617"
                           zFract="0.38011566"/>
                     <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="2.16011"
                           xFract="0.2559372"
                           y3="6.38461"
                           yFract="0.75647038"
                           z3="4.20451"
                           zFract="0.18922187"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1017"
                           xFract="0.24901659"
                           y3="6.30654"
                           yFract="0.74722038"
                           z3="8.45297"
                           zFract="0.38042169"/>
                     <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="4.20527"
                           xFract="0.49825474"
                           y3="6.28801"
                           yFract="0.74502488"
                           z3="6.35013"
                           zFract="0.28578443"/>
                     <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="6.12713"
                           xFract="0.72596327"
                           y3="4.24139"
                           yFract="0.50253436"
                           z3="6.36617"
                           zFract="0.2865063"/>
                     <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="4.30518"
                           xFract="0.51009242"
                           y3="4.24636"
                           yFract="0.50312322"
                           z3="4.23549"
                           zFract="0.19061611"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21433"
                           xFract="0.4993282"
                           y3="4.20482"
                           yFract="0.49820142"
                           z3="8.47393"
                           zFract="0.38136499"/>
                     <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="6.34532"
                           xFract="0.75181517"
                           y3="6.46983"
                           yFract="0.76656754"
                           z3="4.11796"
                           zFract="0.18532673"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.34601"
                           xFract="0.75189692"
                           y3="6.33825"
                           yFract="0.75097749"
                           z3="8.62839"
                           zFract="0.38831638"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a67" 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="6.32991"
                           xFract="0.74998934"
                           y3="4.23072"
                           yFract="0.50127014"
                           z3="8.44965"
                           zFract="0.38027228"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.33031"
                           xFract="0.75003673"
                           y3="0.00277"
                           yFract="0.0003282"
                           z3="4.20808"
                           zFract="0.18938254"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00875"
                           xFract="0.00103673"
                           y3="6.3396"
                           yFract="0.75113744"
                           z3="4.17822"
                           zFract="0.1880387"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21797"
                           xFract="0.49975948"
                           y3="4.21632"
                           yFract="0.49956398"
                           z3="6.38656"
                           zFract="0.28742394"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.11543"
                           xFract="0.25064336"
                           y3="-0.03049"
                           yFract="-0.00361256"
                           z3="8.42159"
                           zFract="0.37900945"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.24833"
                           xFract="0.50335664"
                           y3="6.31718"
                           yFract="0.74848104"
                           z3="8.43169"
                           zFract="0.379464"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1227"
                           xFract="0.25150474"
                           y3="0.0128"
                           yFract="0.00151659"
                           z3="4.20352"
                           zFract="0.18917732"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.27177"
                           xFract="0.50613389"
                           y3="6.33314"
                           yFract="0.75037204"
                           z3="4.25931"
                           zFract="0.19168812"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.24042"
                           xFract="0.50241943"
                           y3="2.13368"
                           yFract="0.25280569"
                           z3="4.1928"
                           zFract="0.18869487"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34513"
                           xFract="0.75179265"
                           y3="0.0026"
                           yFract="0.00030806"
                           z3="8.45493"
                           zFract="0.3805099"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.08215"
                           xFract="0.24670024"
                           y3="6.30706"
                           yFract="0.74728199"
                           z3="6.32502"
                           zFract="0.28465437"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10528"
                           xFract="0.24944076"
                           y3="4.20749"
                           yFract="0.49851777"
                           z3="8.42715"
                           zFract="0.37925968"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37195"
                           xFract="0.75497038"
                           y3="6.31179"
                           yFract="0.74784242"
                           z3="6.4060"
                           zFract="0.28829883"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24538"
                           xFract="0.50300711"
                           y3="2.11446"
                           yFract="0.25052844"
                           z3="8.66095"
                           zFract="0.38978173"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.30859"
                           xFract="0.74746327"
                           y3="2.13165"
                           yFract="0.25256517"
                           z3="6.38772"
                           zFract="0.28747615"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33725"
                           xFract="0.750859"
                           y3="4.23867"
                           yFract="0.50221209"
                           z3="4.23488"
                           zFract="0.19058866"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.01678"
                           xFract="-0.00198815"
                           y3="4.23976"
                           yFract="0.50234123"
                           z3="6.35115"
                           zFract="0.28583033"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11567"
                           xFract="0.2506718"
                           y3="4.24079"
                           yFract="0.50246327"
                           z3="4.23747"
                           zFract="0.19070522"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00626"
                           xFract="-0.00074171"
                           y3="6.32155"
                           yFract="0.74899882"
                           z3="8.65454"
                           zFract="0.38949325"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01808"
                           xFract="0.00214218"
                           y3="2.13327"
                           yFract="0.25275711"
                           z3="4.22074"
                           zFract="0.1899523"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01755"
                           xFract="-0.00207938"
                           y3="-0.06109"
                           yFract="-0.00723815"
                           z3="6.3597"
                           zFract="0.28621512"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.24381"
                           xFract="0.50282109"
                           y3="0.04935"
                           yFract="0.00584716"
                           z3="6.39317"
                           zFract="0.28772142"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13689"
                           xFract="0.25318602"
                           y3="2.11101"
                           yFract="0.25011967"
                           z3="6.39101"
                           zFract="0.28762421"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02681"
                           xFract="-0.00317654"
                           y3="2.10985"
                           yFract="0.24998223"
                           z3="8.52273"
                           zFract="0.38356121"/>
                     <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="-0.05978"
                           xFract="-0.00708294"
                           y3="2.23408"
                           yFract="0.26470142"
                           z3="6.31502"
                           zFract="0.28420432"/>
                     <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="2.08274"
                           xFract="0.24677014"
                           y3="-0.03418"
                           yFract="-0.00404976"
                           z3="6.3429"
                           zFract="0.28545905"/>
                     <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="-0.0099"
                           xFract="-0.00117299"
                           y3="-0.01878"
                           yFract="-0.00222512"
                           z3="4.20454"
                           zFract="0.18922322"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00653"
                           xFract="0.0007737"
                           y3="-0.01274"
                           yFract="-0.00150948"
                           z3="8.47346"
                           zFract="0.38134383"/>
                     <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="2.14494"
                           xFract="0.25413981"
                           y3="2.07293"
                           yFract="0.24560782"
                           z3="4.25027"
                           zFract="0.19128128"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09127"
                           xFract="0.24778081"
                           y3="2.1051"
                           yFract="0.24941943"
                           z3="8.50289"
                           zFract="0.38266832"/>
                     <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="4.27085"
                           xFract="0.50602488"
                           y3="2.18225"
                           yFract="0.25856043"
                           z3="6.22744"
                           zFract="0.28026283"/>
                     <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="6.35481"
                           xFract="0.75293957"
                           y3="-0.01196"
                           yFract="-0.00141706"
                           z3="6.3308"
                           zFract="0.28491449"/>
                     <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="4.24591"
                           xFract="0.50306991"
                           y3="-0.00028"
                           yFract="-0.00003318"
                           z3="4.26553"
                           zFract="0.19196805"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22932"
                           xFract="0.50110427"
                           y3="-0.00711"
                           yFract="-0.00084242"
                           z3="8.49084"
                           zFract="0.38212601"/>
                     <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="6.32004"
                           xFract="0.74881991"
                           y3="1.98996"
                           yFract="0.23577725"
                           z3="4.07141"
                           zFract="0.18323177"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3432"
                           xFract="0.75156398"
                           y3="2.10458"
                           yFract="0.24935782"
                           z3="8.62347"
                           zFract="0.38809496"/>
                     <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="0.0085"
                           xFract="0.00100711"
                           y3="6.21744"
                           yFract="0.73666351"
                           z3="6.15748"
                           zFract="0.27711431"/>
                     <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="2.29048"
                           xFract="0.27138389"
                           y3="4.23372"
                           yFract="0.50162559"
                           z3="6.35781"
                           zFract="0.28613006"/>
                     <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="-0.08033"
                           xFract="-0.00951777"
                           y3="4.25444"
                           yFract="0.50408057"
                           z3="4.18502"
                           zFract="0.18834473"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00207"
                           xFract="-0.00024526"
                           y3="4.24236"
                           yFract="0.50264929"
                           z3="8.44329"
                           zFract="0.37998605"/>
                     <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="2.16088"
                           xFract="0.25602844"
                           y3="6.38337"
                           yFract="0.75632346"
                           z3="4.20558"
                           zFract="0.18927003"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10632"
                           xFract="0.24956398"
                           y3="6.30711"
                           yFract="0.74728791"
                           z3="8.4562"
                           zFract="0.38056706"/>
                     <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="4.20667"
                           xFract="0.49842062"
                           y3="6.28096"
                           yFract="0.74418957"
                           z3="6.35687"
                           zFract="0.28608776"/>
                     <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="6.1341"
                           xFract="0.7267891"
                           y3="4.24518"
                           yFract="0.50298341"
                           z3="6.37182"
                           zFract="0.28676058"/>
                     <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="4.31491"
                           xFract="0.51124526"
                           y3="4.24632"
                           yFract="0.50311848"
                           z3="4.23718"
                           zFract="0.19069217"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21637"
                           xFract="0.49956991"
                           y3="4.20371"
                           yFract="0.49806991"
                           z3="8.48018"
                           zFract="0.38164626"/>
                     <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="6.34685"
                           xFract="0.75199645"
                           y3="6.47584"
                           yFract="0.76727962"
                           z3="4.11718"
                           zFract="0.18529163"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.34171"
                           xFract="0.75138744"
                           y3="6.33969"
                           yFract="0.7511481"
                           z3="8.6416"
                           zFract="0.38891089"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a67" 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="6.32967"
                           xFract="0.7499609"
                           y3="4.23104"
                           yFract="0.50130806"
                           z3="8.45246"
                           zFract="0.38039874"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.33089"
                           xFract="0.75010545"
                           y3="0.00256"
                           yFract="0.00030332"
                           z3="4.2101"
                           zFract="0.18947345"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00879"
                           xFract="0.00104147"
                           y3="6.33909"
                           yFract="0.75107701"
                           z3="4.18169"
                           zFract="0.18819487"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21714"
                           xFract="0.49966114"
                           y3="4.21824"
                           yFract="0.49979147"
                           z3="6.38793"
                           zFract="0.2874856"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.11537"
                           xFract="0.25063626"
                           y3="-0.03039"
                           yFract="-0.00360071"
                           z3="8.42223"
                           zFract="0.37903825"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.24809"
                           xFract="0.5033282"
                           y3="6.31726"
                           yFract="0.74849052"
                           z3="8.43463"
                           zFract="0.37959631"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12246"
                           xFract="0.2514763"
                           y3="0.01339"
                           yFract="0.00158649"
                           z3="4.20389"
                           zFract="0.18919397"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.27195"
                           xFract="0.50615521"
                           y3="6.33319"
                           yFract="0.75037796"
                           z3="4.2610"
                           zFract="0.19176418"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.24059"
                           xFract="0.50243957"
                           y3="2.13416"
                           yFract="0.25286256"
                           z3="4.19502"
                           zFract="0.18879478"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34553"
                           xFract="0.75184005"
                           y3="0.00263"
                           yFract="0.00031161"
                           z3="8.4573"
                           zFract="0.38061656"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.08244"
                           xFract="0.2467346"
                           y3="6.30644"
                           yFract="0.74720853"
                           z3="6.32553"
                           zFract="0.28467732"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10539"
                           xFract="0.24945379"
                           y3="4.20729"
                           yFract="0.49849408"
                           z3="8.42724"
                           zFract="0.37926373"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37203"
                           xFract="0.75497986"
                           y3="6.31202"
                           yFract="0.74786967"
                           z3="6.40847"
                           zFract="0.28840999"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24522"
                           xFract="0.50298815"
                           y3="2.11464"
                           yFract="0.25054976"
                           z3="8.66136"
                           zFract="0.38980018"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.30919"
                           xFract="0.74753436"
                           y3="2.13182"
                           yFract="0.25258531"
                           z3="6.3907"
                           zFract="0.28761026"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33747"
                           xFract="0.75088507"
                           y3="4.23921"
                           yFract="0.50227607"
                           z3="4.23582"
                           zFract="0.19063096"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.01611"
                           xFract="-0.00190877"
                           y3="4.23881"
                           yFract="0.50222867"
                           z3="6.34969"
                           zFract="0.28576463"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11639"
                           xFract="0.25075711"
                           y3="4.24094"
                           yFract="0.50248104"
                           z3="4.23805"
                           zFract="0.19073132"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00614"
                           xFract="-0.00072749"
                           y3="6.32161"
                           yFract="0.74900592"
                           z3="8.65436"
                           zFract="0.38948515"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01828"
                           xFract="0.00216588"
                           y3="2.13292"
                           yFract="0.25271564"
                           z3="4.22267"
                           zFract="0.19003915"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.0177"
                           xFract="-0.00209716"
                           y3="-0.06255"
                           yFract="-0.00741114"
                           z3="6.35981"
                           zFract="0.28622007"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.24467"
                           xFract="0.50292299"
                           y3="0.04823"
                           yFract="0.00571445"
                           z3="6.3948"
                           zFract="0.28779478"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13663"
                           xFract="0.25315521"
                           y3="2.1110"
                           yFract="0.25011848"
                           z3="6.39153"
                           zFract="0.28764761"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02681"
                           xFract="-0.00317654"
                           y3="2.10956"
                           yFract="0.24994787"
                           z3="8.52312"
                           zFract="0.38357876"/>
                     <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="-0.06066"
                           xFract="-0.0071872"
                           y3="2.23434"
                           yFract="0.26473223"
                           z3="6.31639"
                           zFract="0.28426598"/>
                     <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="2.08322"
                           xFract="0.24682701"
                           y3="-0.03427"
                           yFract="-0.00406043"
                           z3="6.34265"
                           zFract="0.28544779"/>
                     <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="-0.00977"
                           xFract="-0.00115758"
                           y3="-0.0180"
                           yFract="-0.0021327"
                           z3="4.20436"
                           zFract="0.18921512"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00691"
                           xFract="0.00081872"
                           y3="-0.0135"
                           yFract="-0.00159953"
                           z3="8.47405"
                           zFract="0.38137039"/>
                     <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="2.14592"
                           xFract="0.25425592"
                           y3="2.07332"
                           yFract="0.24565403"
                           z3="4.25218"
                           zFract="0.19136724"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09035"
                           xFract="0.2476718"
                           y3="2.10528"
                           yFract="0.24944076"
                           z3="8.5027"
                           zFract="0.38265977"/>
                     <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="4.27161"
                           xFract="0.50611493"
                           y3="2.18314"
                           yFract="0.25866588"
                           z3="6.2293"
                           zFract="0.28034653"/>
                     <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="6.35462"
                           xFract="0.75291706"
                           y3="-0.01284"
                           yFract="-0.00152133"
                           z3="6.33238"
                           zFract="0.2849856"/>
                     <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="4.24596"
                           xFract="0.50307583"
                           y3="0.00033"
                           yFract="0.0000391"
                           z3="4.26785"
                           zFract="0.19207246"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22921"
                           xFract="0.50109123"
                           y3="-0.00652"
                           yFract="-0.00077251"
                           z3="8.4905"
                           zFract="0.38211071"/>
                     <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="6.31917"
                           xFract="0.74871682"
                           y3="1.98974"
                           yFract="0.23575118"
                           z3="4.07114"
                           zFract="0.18321962"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34438"
                           xFract="0.75170379"
                           y3="2.10443"
                           yFract="0.24934005"
                           z3="8.62687"
                           zFract="0.38824797"/>
                     <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="0.00907"
                           xFract="0.00107464"
                           y3="6.21919"
                           yFract="0.73687085"
                           z3="6.16045"
                           zFract="0.27724797"/>
                     <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="2.29182"
                           xFract="0.27154265"
                           y3="4.23327"
                           yFract="0.50157227"
                           z3="6.3578"
                           zFract="0.28612961"/>
                     <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="-0.08301"
                           xFract="-0.00983531"
                           y3="4.25375"
                           yFract="0.50399882"
                           z3="4.18532"
                           zFract="0.18835824"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00247"
                           xFract="-0.00029265"
                           y3="4.2436"
                           yFract="0.50279621"
                           z3="8.44254"
                           zFract="0.3799523"/>
                     <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="2.16108"
                           xFract="0.25605213"
                           y3="6.38305"
                           yFract="0.75628555"
                           z3="4.20586"
                           zFract="0.18928263"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10752"
                           xFract="0.24970616"
                           y3="6.30725"
                           yFract="0.7473045"
                           z3="8.45704"
                           zFract="0.38060486"/>
                     <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="4.20704"
                           xFract="0.49846445"
                           y3="6.27913"
                           yFract="0.74397275"
                           z3="6.35862"
                           zFract="0.28616652"/>
                     <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="6.13591"
                           xFract="0.72700355"
                           y3="4.24617"
                           yFract="0.50310071"
                           z3="6.37329"
                           zFract="0.28682673"/>
                     <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="4.31745"
                           xFract="0.51154621"
                           y3="4.24631"
                           yFract="0.5031173"
                           z3="4.23762"
                           zFract="0.19071197"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2169"
                           xFract="0.4996327"
                           y3="4.20342"
                           yFract="0.49803555"
                           z3="8.4818"
                           zFract="0.38171917"/>
                     <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="6.34725"
                           xFract="0.75204384"
                           y3="6.4774"
                           yFract="0.76746445"
                           z3="4.11698"
                           zFract="0.18528263"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.34059"
                           xFract="0.75125474"
                           y3="6.34007"
                           yFract="0.75119313"
                           z3="8.64504"
                           zFract="0.38906571"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a67" 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="6.32999"
                           xFract="0.74999882"
                           y3="4.23368"
                           yFract="0.50162085"
                           z3="8.46309"
                           zFract="0.38087714"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32881"
                           xFract="0.749859"
                           y3="0.00736"
                           yFract="0.00087204"
                           z3="4.20826"
                           zFract="0.18939064"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00679"
                           xFract="0.0008045"
                           y3="6.33916"
                           yFract="0.75108531"
                           z3="4.18124"
                           zFract="0.18817462"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.22121"
                           xFract="0.50014336"
                           y3="4.21773"
                           yFract="0.49973104"
                           z3="6.38965"
                           zFract="0.28756301"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.11475"
                           xFract="0.2505628"
                           y3="-0.02936"
                           yFract="-0.00347867"
                           z3="8.42415"
                           zFract="0.37912466"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.24767"
                           xFract="0.50327844"
                           y3="6.31788"
                           yFract="0.74856398"
                           z3="8.44442"
                           zFract="0.3800369"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12505"
                           xFract="0.25178318"
                           y3="0.01393"
                           yFract="0.00165047"
                           z3="4.20544"
                           zFract="0.18926373"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.27448"
                           xFract="0.50645498"
                           y3="6.33481"
                           yFract="0.75056991"
                           z3="4.26541"
                           zFract="0.19196265"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.24241"
                           xFract="0.50265521"
                           y3="2.13428"
                           yFract="0.25287678"
                           z3="4.20276"
                           zFract="0.18914311"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34696"
                           xFract="0.75200948"
                           y3="0.00211"
                           yFract="0.00025"
                           z3="8.46649"
                           zFract="0.38103015"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.08459"
                           xFract="0.24698934"
                           y3="6.30676"
                           yFract="0.74724645"
                           z3="6.32913"
                           zFract="0.28483933"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10431"
                           xFract="0.24932583"
                           y3="4.20689"
                           yFract="0.49844668"
                           z3="8.43068"
                           zFract="0.37941854"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3723"
                           xFract="0.75501185"
                           y3="6.31334"
                           yFract="0.74802607"
                           z3="6.41779"
                           zFract="0.28882943"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24502"
                           xFract="0.50296445"
                           y3="2.11563"
                           yFract="0.25066706"
                           z3="8.66471"
                           zFract="0.38995095"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.30783"
                           xFract="0.74737322"
                           y3="2.13178"
                           yFract="0.25258057"
                           z3="6.39923"
                           zFract="0.28799415"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33762"
                           xFract="0.75090284"
                           y3="4.2400"
                           yFract="0.50236967"
                           z3="4.24206"
                           zFract="0.19091179"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.01335"
                           xFract="-0.00158175"
                           y3="4.24035"
                           yFract="0.50241114"
                           z3="6.34794"
                           zFract="0.28568587"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11848"
                           xFract="0.25100474"
                           y3="4.24046"
                           yFract="0.50242417"
                           z3="4.23846"
                           zFract="0.19074977"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00783"
                           xFract="-0.00092773"
                           y3="6.32241"
                           yFract="0.74910071"
                           z3="8.65619"
                           zFract="0.38956751"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01776"
                           xFract="0.00210427"
                           y3="2.13089"
                           yFract="0.25247512"
                           z3="4.22576"
                           zFract="0.19017822"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01697"
                           xFract="-0.00201066"
                           y3="-0.06308"
                           yFract="-0.00747393"
                           z3="6.36458"
                           zFract="0.28643474"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.24387"
                           xFract="0.5028282"
                           y3="0.04912"
                           yFract="0.00581991"
                           z3="6.39837"
                           zFract="0.28795545"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13844"
                           xFract="0.25336967"
                           y3="2.10863"
                           yFract="0.24983768"
                           z3="6.39351"
                           zFract="0.28773672"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.0258"
                           xFract="-0.00305687"
                           y3="2.10948"
                           yFract="0.24993839"
                           z3="8.52483"
                           zFract="0.38365572"/>
                     <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="-0.06187"
                           xFract="-0.00733057"
                           y3="2.2278"
                           yFract="0.26395735"
                           z3="6.32017"
                           zFract="0.28443609"/>
                     <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="2.08759"
                           xFract="0.24734479"
                           y3="-0.03728"
                           yFract="-0.00441706"
                           z3="6.34398"
                           zFract="0.28550765"/>
                     <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="-0.00999"
                           xFract="-0.00118365"
                           y3="-0.01681"
                           yFract="-0.00199171"
                           z3="4.20543"
                           zFract="0.18926328"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01033"
                           xFract="0.00122393"
                           y3="-0.01761"
                           yFract="-0.00208649"
                           z3="8.47779"
                           zFract="0.3815387"/>
                     <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="2.14787"
                           xFract="0.25448697"
                           y3="2.07643"
                           yFract="0.24602251"
                           z3="4.25521"
                           zFract="0.1915036"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08757"
                           xFract="0.24734242"
                           y3="2.10606"
                           yFract="0.24953318"
                           z3="8.50301"
                           zFract="0.38267372"/>
                     <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="4.27604"
                           xFract="0.50663981"
                           y3="2.19059"
                           yFract="0.25954858"
                           z3="6.23498"
                           zFract="0.28060216"/>
                     <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="6.35394"
                           xFract="0.75283649"
                           y3="-0.01673"
                           yFract="-0.00198223"
                           z3="6.33945"
                           zFract="0.28530378"/>
                     <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="4.24853"
                           xFract="0.50338033"
                           y3="-0.00013"
                           yFract="-0.0000154"
                           z3="4.2791"
                           zFract="0.19257876"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22819"
                           xFract="0.50097038"
                           y3="-0.00373"
                           yFract="-0.00044194"
                           z3="8.49151"
                           zFract="0.38215617"/>
                     <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="6.31756"
                           xFract="0.74852607"
                           y3="1.9884"
                           yFract="0.23559242"
                           z3="4.06788"
                           zFract="0.18307291"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34736"
                           xFract="0.75205687"
                           y3="2.10382"
                           yFract="0.24926777"
                           z3="8.6395"
                           zFract="0.38881638"/>
                     <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="0.01105"
                           xFract="0.00130924"
                           y3="6.22288"
                           yFract="0.73730806"
                           z3="6.17129"
                           zFract="0.27773582"/>
                     <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="2.29705"
                           xFract="0.27216232"
                           y3="4.23625"
                           yFract="0.50192536"
                           z3="6.35913"
                           zFract="0.28618947"/>
                     <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="-0.08886"
                           xFract="-0.01052844"
                           y3="4.25441"
                           yFract="0.50407701"
                           z3="4.18616"
                           zFract="0.18839604"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00296"
                           xFract="-0.00035071"
                           y3="4.24872"
                           yFract="0.50340284"
                           z3="8.44081"
                           zFract="0.37987444"/>
                     <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="2.16143"
                           xFract="0.2560936"
                           y3="6.38229"
                           yFract="0.7561955"
                           z3="4.20916"
                           zFract="0.18943114"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11129"
                           xFract="0.25015284"
                           y3="6.30662"
                           yFract="0.74722986"
                           z3="8.46099"
                           zFract="0.38078263"/>
                     <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="4.20718"
                           xFract="0.49848104"
                           y3="6.27154"
                           yFract="0.74307346"
                           z3="6.36367"
                           zFract="0.28639379"/>
                     <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="6.13632"
                           xFract="0.72705213"
                           y3="4.25098"
                           yFract="0.50367062"
                           z3="6.38292"
                           zFract="0.28726013"/>
                     <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="4.32558"
                           xFract="0.51250948"
                           y3="4.2462"
                           yFract="0.50310427"
                           z3="4.23935"
                           zFract="0.19078983"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21828"
                           xFract="0.49979621"
                           y3="4.20011"
                           yFract="0.49764336"
                           z3="8.48892"
                           zFract="0.3820396"/>
                     <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="6.34847"
                           xFract="0.75218839"
                           y3="6.47697"
                           yFract="0.76741351"
                           z3="4.11389"
                           zFract="0.18514356"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33717"
                           xFract="0.75084953"
                           y3="6.34232"
                           yFract="0.75145972"
                           z3="8.65689"
                           zFract="0.38959901"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a67" 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.25">
                  <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="6.3302"
                           xFract="0.7500237"
                           y3="4.23539"
                           yFract="0.50182346"
                           z3="8.46995"
                           zFract="0.38118587"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32747"
                           xFract="0.74970024"
                           y3="0.01046"
                           yFract="0.00123934"
                           z3="4.20706"
                           zFract="0.18933663"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00551"
                           xFract="0.00065284"
                           y3="6.33921"
                           yFract="0.75109123"
                           z3="4.18095"
                           zFract="0.18816157"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.22383"
                           xFract="0.50045379"
                           y3="4.2174"
                           yFract="0.49969194"
                           z3="6.39076"
                           zFract="0.28761296"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.11436"
                           xFract="0.25051659"
                           y3="-0.02869"
                           yFract="-0.00339929"
                           z3="8.42539"
                           zFract="0.37918047"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.2474"
                           xFract="0.50324645"
                           y3="6.31827"
                           yFract="0.74861019"
                           z3="8.45073"
                           zFract="0.38032088"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12673"
                           xFract="0.25198223"
                           y3="0.01429"
                           yFract="0.00169313"
                           z3="4.20644"
                           zFract="0.18930873"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.27612"
                           xFract="0.50664929"
                           y3="6.33585"
                           yFract="0.75069313"
                           z3="4.26826"
                           zFract="0.19209091"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.24359"
                           xFract="0.50279502"
                           y3="2.13435"
                           yFract="0.25288507"
                           z3="4.20775"
                           zFract="0.18936769"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34788"
                           xFract="0.75211848"
                           y3="0.00178"
                           yFract="0.0002109"
                           z3="8.47242"
                           zFract="0.38129703"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.08598"
                           xFract="0.24715403"
                           y3="6.30696"
                           yFract="0.74727014"
                           z3="6.33146"
                           zFract="0.28494419"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10361"
                           xFract="0.24924289"
                           y3="4.20663"
                           yFract="0.49841588"
                           z3="8.43291"
                           zFract="0.3795189"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37247"
                           xFract="0.75503199"
                           y3="6.31419"
                           yFract="0.74812678"
                           z3="6.42382"
                           zFract="0.28910081"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24488"
                           xFract="0.50294787"
                           y3="2.11626"
                           yFract="0.25074171"
                           z3="8.66687"
                           zFract="0.39004815"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.30696"
                           xFract="0.74727014"
                           y3="2.13176"
                           yFract="0.2525782"
                           z3="6.40474"
                           zFract="0.28824212"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33772"
                           xFract="0.75091469"
                           y3="4.24051"
                           yFract="0.50243009"
                           z3="4.24608"
                           zFract="0.19109271"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.01157"
                           xFract="-0.00137085"
                           y3="4.24134"
                           yFract="0.50252844"
                           z3="6.3468"
                           zFract="0.28563456"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11984"
                           xFract="0.25116588"
                           y3="4.24015"
                           yFract="0.50238744"
                           z3="4.23871"
                           zFract="0.19076103"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00893"
                           xFract="-0.00105806"
                           y3="6.32293"
                           yFract="0.74916232"
                           z3="8.65737"
                           zFract="0.38962061"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01742"
                           xFract="0.00206398"
                           y3="2.12958"
                           yFract="0.25231991"
                           z3="4.22776"
                           zFract="0.19026823"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01649"
                           xFract="-0.00195379"
                           y3="-0.06343"
                           yFract="-0.0075154"
                           z3="6.36765"
                           zFract="0.28657291"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.24335"
                           xFract="0.50276659"
                           y3="0.0497"
                           yFract="0.00588863"
                           z3="6.40067"
                           zFract="0.28805896"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13961"
                           xFract="0.25350829"
                           y3="2.1071"
                           yFract="0.2496564"
                           z3="6.39478"
                           zFract="0.28779388"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02516"
                           xFract="-0.00298104"
                           y3="2.10943"
                           yFract="0.24993246"
                           z3="8.52593"
                           zFract="0.38370522"/>
                     <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="-0.06265"
                           xFract="-0.00742299"
                           y3="2.22358"
                           yFract="0.26345735"
                           z3="6.32261"
                           zFract="0.2845459"/>
                     <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="2.09041"
                           xFract="0.24767891"
                           y3="-0.03923"
                           yFract="-0.0046481"
                           z3="6.34484"
                           zFract="0.28554635"/>
                     <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="-0.01013"
                           xFract="-0.00120024"
                           y3="-0.01605"
                           yFract="-0.00190166"
                           z3="4.20611"
                           zFract="0.18929388"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01253"
                           xFract="0.0014846"
                           y3="-0.02026"
                           yFract="-0.00240047"
                           z3="8.4802"
                           zFract="0.38164716"/>
                     <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="2.14913"
                           xFract="0.25463626"
                           y3="2.07843"
                           yFract="0.24625948"
                           z3="4.25718"
                           zFract="0.19159226"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08577"
                           xFract="0.24712915"
                           y3="2.10656"
                           yFract="0.24959242"
                           z3="8.50322"
                           zFract="0.38268317"/>
                     <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="4.2789"
                           xFract="0.50697867"
                           y3="2.19541"
                           yFract="0.26011967"
                           z3="6.23864"
                           zFract="0.28076688"/>
                     <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="6.3535"
                           xFract="0.75278436"
                           y3="-0.01924"
                           yFract="-0.00227962"
                           z3="6.34401"
                           zFract="0.285509"/>
                     <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="4.25019"
                           xFract="0.50357701"
                           y3="-0.00043"
                           yFract="-0.00005095"
                           z3="4.28636"
                           zFract="0.19290549"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22754"
                           xFract="0.50089336"
                           y3="-0.00194"
                           yFract="-0.00022986"
                           z3="8.49216"
                           zFract="0.38218542"/>
                     <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="6.31653"
                           xFract="0.74840403"
                           y3="1.98754"
                           yFract="0.23549052"
                           z3="4.06577"
                           zFract="0.18297795"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34929"
                           xFract="0.75228555"
                           y3="2.10343"
                           yFract="0.24922156"
                           z3="8.64766"
                           zFract="0.38918362"/>
                     <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="0.01232"
                           xFract="0.00145972"
                           y3="6.22527"
                           yFract="0.73759123"
                           z3="6.17829"
                           zFract="0.27805086"/>
                     <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="2.30043"
                           xFract="0.2725628"
                           y3="4.23817"
                           yFract="0.50215284"
                           z3="6.3600"
                           zFract="0.28622862"/>
                     <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="-0.09264"
                           xFract="-0.0109763"
                           y3="4.25484"
                           yFract="0.50412796"
                           z3="4.1867"
                           zFract="0.18842034"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00327"
                           xFract="-0.00038744"
                           y3="4.25202"
                           yFract="0.50379384"
                           z3="8.43969"
                           zFract="0.37982403"/>
                     <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="2.16165"
                           xFract="0.25611967"
                           y3="6.3818"
                           yFract="0.75613744"
                           z3="4.21129"
                           zFract="0.189527"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11373"
                           xFract="0.25044194"
                           y3="6.30621"
                           yFract="0.74718128"
                           z3="8.46353"
                           zFract="0.38089694"/>
                     <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="4.20727"
                           xFract="0.49849171"
                           y3="6.26665"
                           yFract="0.74249408"
                           z3="6.36693"
                           zFract="0.2865405"/>
                     <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="6.13659"
                           xFract="0.72708412"
                           y3="4.25409"
                           yFract="0.5040391"
                           z3="6.38914"
                           zFract="0.28754005"/>
                     <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="4.33083"
                           xFract="0.51313152"
                           y3="4.24613"
                           yFract="0.50309597"
                           z3="4.24047"
                           zFract="0.19084023"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21917"
                           xFract="0.49990166"
                           y3="4.19798"
                           yFract="0.497391"
                           z3="8.49352"
                           zFract="0.38224662"/>
                     <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="6.34925"
                           xFract="0.75228081"
                           y3="6.4767"
                           yFract="0.76738152"
                           z3="4.1119"
                           zFract="0.18505401"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33496"
                           xFract="0.75058768"
                           y3="6.34378"
                           yFract="0.7516327"
                           z3="8.66454"
                           zFract="0.38994329"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a4 a69" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a67" 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.26">
                  <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="6.32978"
                           xFract="0.74997393"
                           y3="4.23674"
                           yFract="0.50198341"
                           z3="8.47775"
                           zFract="0.3815369"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32785"
                           xFract="0.74974526"
                           y3="0.00514"
                           yFract="0.000609"
                           z3="4.20478"
                           zFract="0.18923402"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.0035"
                           xFract="0.00041469"
                           y3="6.34254"
                           yFract="0.75148578"
                           z3="4.18375"
                           zFract="0.18828758"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.22511"
                           xFract="0.50060545"
                           y3="4.21807"
                           yFract="0.49977133"
                           z3="6.39668"
                           zFract="0.28787939"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.11484"
                           xFract="0.25057346"
                           y3="-0.02997"
                           yFract="-0.00355095"
                           z3="8.42874"
                           zFract="0.37933123"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.24587"
                           xFract="0.50306517"
                           y3="6.31674"
                           yFract="0.74842891"
                           z3="8.45633"
                           zFract="0.38057291"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1297"
                           xFract="0.25233412"
                           y3="0.01271"
                           yFract="0.00150592"
                           z3="4.20784"
                           zFract="0.18937174"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.28026"
                           xFract="0.50713981"
                           y3="6.33509"
                           yFract="0.75060308"
                           z3="4.27041"
                           zFract="0.19218767"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.24674"
                           xFract="0.50316825"
                           y3="2.1354"
                           yFract="0.25300948"
                           z3="4.20634"
                           zFract="0.18930423"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34867"
                           xFract="0.75221209"
                           y3="0.00292"
                           yFract="0.00034597"
                           z3="8.48114"
                           zFract="0.38168947"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.08846"
                           xFract="0.24744787"
                           y3="6.30765"
                           yFract="0.7473519"
                           z3="6.33711"
                           zFract="0.28519847"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.1045"
                           xFract="0.24934834"
                           y3="4.20901"
                           yFract="0.49869787"
                           z3="8.43639"
                           zFract="0.37967552"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37335"
                           xFract="0.75513626"
                           y3="6.31698"
                           yFract="0.74845735"
                           z3="6.43123"
                           zFract="0.28943429"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24695"
                           xFract="0.50319313"
                           y3="2.11777"
                           yFract="0.25092062"
                           z3="8.67399"
                           zFract="0.39036859"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.30863"
                           xFract="0.74746801"
                           y3="2.13087"
                           yFract="0.25247275"
                           z3="6.41199"
                           zFract="0.28856841"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33924"
                           xFract="0.75109479"
                           y3="4.24018"
                           yFract="0.502391"
                           z3="4.25229"
                           zFract="0.19137219"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.00986"
                           xFract="-0.00116825"
                           y3="4.24206"
                           yFract="0.50261374"
                           z3="6.34981"
                           zFract="0.28577003"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12226"
                           xFract="0.25145261"
                           y3="4.24082"
                           yFract="0.50246682"
                           z3="4.23962"
                           zFract="0.19080198"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.0098"
                           xFract="-0.00116114"
                           y3="6.32402"
                           yFract="0.74929147"
                           z3="8.6626"
                           zFract="0.38985599"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01512"
                           xFract="0.00179147"
                           y3="2.12898"
                           yFract="0.25224882"
                           z3="4.22668"
                           zFract="0.19021962"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01641"
                           xFract="-0.00194431"
                           y3="-0.06013"
                           yFract="-0.00712441"
                           z3="6.37196"
                           zFract="0.28676688"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.24449"
                           xFract="0.50290166"
                           y3="0.05253"
                           yFract="0.00622393"
                           z3="6.40534"
                           zFract="0.28826913"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14169"
                           xFract="0.25375474"
                           y3="2.10736"
                           yFract="0.2496872"
                           z3="6.39726"
                           zFract="0.28790549"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02669"
                           xFract="-0.00316232"
                           y3="2.11158"
                           yFract="0.2501872"
                           z3="8.52849"
                           zFract="0.38382043"/>
                     <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="-0.06298"
                           xFract="-0.00746209"
                           y3="2.21747"
                           yFract="0.26273341"
                           z3="6.32438"
                           zFract="0.28462556"/>
                     <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="2.09509"
                           xFract="0.24823341"
                           y3="-0.03953"
                           yFract="-0.00468365"
                           z3="6.34902"
                           zFract="0.28573447"/>
                     <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="-0.01023"
                           xFract="-0.00121209"
                           y3="-0.01506"
                           yFract="-0.00178436"
                           z3="4.20833"
                           zFract="0.18939379"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0160"
                           xFract="0.00189573"
                           y3="-0.02525"
                           yFract="-0.00299171"
                           z3="8.48733"
                           zFract="0.38196805"/>
                     <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="2.14993"
                           xFract="0.25473104"
                           y3="2.08116"
                           yFract="0.24658294"
                           z3="4.25937"
                           zFract="0.19169082"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08298"
                           xFract="0.24679858"
                           y3="2.10787"
                           yFract="0.24974763"
                           z3="8.50465"
                           zFract="0.38274752"/>
                     <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="4.28253"
                           xFract="0.50740877"
                           y3="2.20471"
                           yFract="0.26122156"
                           z3="6.24369"
                           zFract="0.28099415"/>
                     <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="6.35369"
                           xFract="0.75280687"
                           y3="-0.02327"
                           yFract="-0.00275711"
                           z3="6.3527"
                           zFract="0.28590009"/>
                     <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="4.25124"
                           xFract="0.50370142"
                           y3="0.00008"
                           yFract="0.00000948"
                           z3="4.30008"
                           zFract="0.19352295"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22605"
                           xFract="0.50071682"
                           y3="0.00179"
                           yFract="0.00021209"
                           z3="8.49673"
                           zFract="0.38239109"/>
                     <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="6.31831"
                           xFract="0.74861493"
                           y3="1.99112"
                           yFract="0.23591469"
                           z3="4.06295"
                           zFract="0.18285104"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.35296"
                           xFract="0.75272038"
                           y3="2.10199"
                           yFract="0.24905095"
                           z3="8.66131"
                           zFract="0.38979793"/>
                     <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="0.01088"
                           xFract="0.0012891"
                           y3="6.22573"
                           yFract="0.73764573"
                           z3="6.17837"
                           zFract="0.27805446"/>
                     <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="2.30325"
                           xFract="0.27289692"
                           y3="4.2370"
                           yFract="0.50201422"
                           z3="6.36145"
                           zFract="0.28629388"/>
                     <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="-0.09417"
                           xFract="-0.01115758"
                           y3="4.25527"
                           yFract="0.50417891"
                           z3="4.19111"
                           zFract="0.18861881"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00228"
                           xFract="-0.00027014"
                           y3="4.25515"
                           yFract="0.50416469"
                           z3="8.43901"
                           zFract="0.37979343"/>
                     <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="2.16314"
                           xFract="0.25629621"
                           y3="6.38017"
                           yFract="0.75594431"
                           z3="4.21294"
                           zFract="0.18960126"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11545"
                           xFract="0.25064573"
                           y3="6.30543"
                           yFract="0.74708886"
                           z3="8.46973"
                           zFract="0.38117597"/>
                     <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="4.21173"
                           xFract="0.49902014"
                           y3="6.2586"
                           yFract="0.74154028"
                           z3="6.37298"
                           zFract="0.28681278"/>
                     <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="6.13808"
                           xFract="0.72726066"
                           y3="4.25864"
                           yFract="0.5045782"
                           z3="6.40481"
                           zFract="0.28824527"/>
                     <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="4.33585"
                           xFract="0.5137263"
                           y3="4.24677"
                           yFract="0.5031718"
                           z3="4.23869"
                           zFract="0.19076013"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21951"
                           xFract="0.49994194"
                           y3="4.19413"
                           yFract="0.49693483"
                           z3="8.5055"
                           zFract="0.38278578"/>
                     <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="6.34919"
                           xFract="0.7522737"
                           y3="6.47714"
                           yFract="0.76743365"
                           z3="4.11014"
                           zFract="0.1849748"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33254"
                           xFract="0.75030095"
                           y3="6.34707"
                           yFract="0.75202251"
                           z3="8.67921"
                           zFract="0.39060351"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a67" 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.27">
                  <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="6.32956"
                           xFract="0.74994787"
                           y3="4.23747"
                           yFract="0.50206991"
                           z3="8.48196"
                           zFract="0.38172637"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.32806"
                           xFract="0.74977014"
                           y3="0.00226"
                           yFract="0.00026777"
                           z3="4.20355"
                           zFract="0.18917867"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00241"
                           xFract="0.00028555"
                           y3="6.34434"
                           yFract="0.75169905"
                           z3="4.18525"
                           zFract="0.18835509"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2258"
                           xFract="0.5006872"
                           y3="4.21844"
                           yFract="0.49981517"
                           z3="6.39987"
                           zFract="0.28802295"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1151"
                           xFract="0.25060427"
                           y3="-0.03065"
                           yFract="-0.00363152"
                           z3="8.43054"
                           zFract="0.37941224"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.24504"
                           xFract="0.50296682"
                           y3="6.31592"
                           yFract="0.74833175"
                           z3="8.45934"
                           zFract="0.38070837"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1313"
                           xFract="0.2525237"
                           y3="0.01185"
                           yFract="0.00140403"
                           z3="4.2086"
                           zFract="0.18940594"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2825"
                           xFract="0.50740521"
                           y3="6.33467"
                           yFract="0.75055332"
                           z3="4.27158"
                           zFract="0.19224032"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.24845"
                           xFract="0.50337085"
                           y3="2.13596"
                           yFract="0.25307583"
                           z3="4.20557"
                           zFract="0.18926958"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3491"
                           xFract="0.75226303"
                           y3="0.00354"
                           yFract="0.00041943"
                           z3="8.48583"
                           zFract="0.38190054"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.08981"
                           xFract="0.24760782"
                           y3="6.30802"
                           yFract="0.74739573"
                           z3="6.34015"
                           zFract="0.28533528"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10498"
                           xFract="0.24940521"
                           y3="4.21029"
                           yFract="0.49884953"
                           z3="8.43827"
                           zFract="0.37976013"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37383"
                           xFract="0.75519313"
                           y3="6.31849"
                           yFract="0.74863626"
                           z3="6.43522"
                           zFract="0.28961386"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24807"
                           xFract="0.50332583"
                           y3="2.11858"
                           yFract="0.25101659"
                           z3="8.67784"
                           zFract="0.39054185"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.30953"
                           xFract="0.74757464"
                           y3="2.13039"
                           yFract="0.25241588"
                           z3="6.41591"
                           zFract="0.28874482"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34006"
                           xFract="0.75119194"
                           y3="4.2400"
                           yFract="0.50236967"
                           z3="4.25564"
                           zFract="0.19152295"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.00893"
                           xFract="-0.00105806"
                           y3="4.24244"
                           yFract="0.50265877"
                           z3="6.35143"
                           zFract="0.28584293"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12357"
                           xFract="0.25160782"
                           y3="4.24118"
                           yFract="0.50250948"
                           z3="4.2401"
                           zFract="0.19082358"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.01028"
                           xFract="-0.00121801"
                           y3="6.3246"
                           yFract="0.74936019"
                           z3="8.66542"
                           zFract="0.3899829"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01388"
                           xFract="0.00164455"
                           y3="2.12865"
                           yFract="0.25220972"
                           z3="4.2261"
                           zFract="0.19019352"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01637"
                           xFract="-0.00193957"
                           y3="-0.05835"
                           yFract="-0.00691351"
                           z3="6.37429"
                           zFract="0.28687174"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2451"
                           xFract="0.50297393"
                           y3="0.05405"
                           yFract="0.00640403"
                           z3="6.40785"
                           zFract="0.28838209"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1428"
                           xFract="0.25388626"
                           y3="2.1075"
                           yFract="0.24970379"
                           z3="6.3986"
                           zFract="0.2879658"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02751"
                           xFract="-0.00325948"
                           y3="2.11275"
                           yFract="0.25032583"
                           z3="8.52988"
                           zFract="0.38388299"/>
                     <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="-0.06316"
                           xFract="-0.00748341"
                           y3="2.21417"
                           yFract="0.26234242"
                           z3="6.32534"
                           zFract="0.28466877"/>
                     <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="2.09761"
                           xFract="0.24853199"
                           y3="-0.0397"
                           yFract="-0.00470379"
                           z3="6.35127"
                           zFract="0.28583573"/>
                     <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="-0.01027"
                           xFract="-0.00121682"
                           y3="-0.01453"
                           yFract="-0.00172156"
                           z3="4.20952"
                           zFract="0.18944734"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01787"
                           xFract="0.0021173"
                           y3="-0.02794"
                           yFract="-0.00331043"
                           z3="8.49118"
                           zFract="0.38214131"/>
                     <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="2.15036"
                           xFract="0.25478199"
                           y3="2.08263"
                           yFract="0.24675711"
                           z3="4.26056"
                           zFract="0.19174437"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08148"
                           xFract="0.24662085"
                           y3="2.10857"
                           yFract="0.24983057"
                           z3="8.50542"
                           zFract="0.38278218"/>
                     <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="4.2845"
                           xFract="0.50764218"
                           y3="2.20973"
                           yFract="0.26181635"
                           z3="6.24641"
                           zFract="0.28111656"/>
                     <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="6.3538"
                           xFract="0.75281991"
                           y3="-0.02545"
                           yFract="-0.0030154"
                           z3="6.35738"
                           zFract="0.28611071"/>
                     <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="4.2518"
                           xFract="0.50376777"
                           y3="0.00035"
                           yFract="0.00004147"
                           z3="4.30748"
                           zFract="0.19385599"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22524"
                           xFract="0.50062085"
                           y3="0.00381"
                           yFract="0.00045142"
                           z3="8.49919"
                           zFract="0.3825018"/>
                     <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="6.31927"
                           xFract="0.74872867"
                           y3="1.99305"
                           yFract="0.23614336"
                           z3="4.06143"
                           zFract="0.18278263"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.35495"
                           xFract="0.75295616"
                           y3="2.10121"
                           yFract="0.24895853"
                           z3="8.66867"
                           zFract="0.39012916"/>
                     <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="0.01011"
                           xFract="0.00119787"
                           y3="6.22598"
                           yFract="0.73767536"
                           z3="6.17842"
                           zFract="0.27805671"/>
                     <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="2.30476"
                           xFract="0.27307583"
                           y3="4.23637"
                           yFract="0.50193957"
                           z3="6.36223"
                           zFract="0.28632898"/>
                     <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="-0.09499"
                           xFract="-0.01125474"
                           y3="4.25551"
                           yFract="0.50420735"
                           z3="4.19349"
                           zFract="0.18872592"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00174"
                           xFract="-0.00020616"
                           y3="4.25683"
                           yFract="0.50436374"
                           z3="8.43865"
                           zFract="0.37977723"/>
                     <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="2.16395"
                           xFract="0.25639218"
                           y3="6.3793"
                           yFract="0.75584123"
                           z3="4.21384"
                           zFract="0.18964176"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11638"
                           xFract="0.25075592"
                           y3="6.3050"
                           yFract="0.74703791"
                           z3="8.47307"
                           zFract="0.38132628"/>
                     <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="4.21414"
                           xFract="0.49930569"
                           y3="6.25426"
                           yFract="0.74102607"
                           z3="6.37624"
                           zFract="0.2869595"/>
                     <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="6.13888"
                           xFract="0.72735545"
                           y3="4.26109"
                           yFract="0.50486848"
                           z3="6.41326"
                           zFract="0.28862556"/>
                     <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="4.33856"
                           xFract="0.51404739"
                           y3="4.24711"
                           yFract="0.50321209"
                           z3="4.23773"
                           zFract="0.19071692"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21969"
                           xFract="0.49996327"
                           y3="4.19206"
                           yFract="0.49668957"
                           z3="8.51197"
                           zFract="0.38307696"/>
                     <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="6.34916"
                           xFract="0.75227014"
                           y3="6.47739"
                           yFract="0.76746327"
                           z3="4.10918"
                           zFract="0.18493159"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33123"
                           xFract="0.75014573"
                           y3="6.34884"
                           yFract="0.75223223"
                           z3="8.68712"
                           zFract="0.3909595"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a67" 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.28">
                  <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="6.32752"
                           xFract="0.74970616"
                           y3="4.23863"
                           yFract="0.50220735"
                           z3="8.48841"
                           zFract="0.38201665"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.33008"
                           xFract="0.75000948"
                           y3="0.00814"
                           yFract="0.00096445"
                           z3="4.21138"
                           zFract="0.18953105"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00351"
                           xFract="0.00041588"
                           y3="6.3436"
                           yFract="0.75161137"
                           z3="4.18707"
                           zFract="0.18843699"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.22884"
                           xFract="0.50104739"
                           y3="4.21849"
                           yFract="0.49982109"
                           z3="6.40764"
                           zFract="0.28837264"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.11525"
                           xFract="0.25062204"
                           y3="-0.02985"
                           yFract="-0.00353673"
                           z3="8.4371"
                           zFract="0.37970747"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.24783"
                           xFract="0.50329739"
                           y3="6.3142"
                           yFract="0.74812796"
                           z3="8.46416"
                           zFract="0.38092529"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.13236"
                           xFract="0.25264929"
                           y3="0.01145"
                           yFract="0.00135664"
                           z3="4.21077"
                           zFract="0.1895036"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2828"
                           xFract="0.50744076"
                           y3="6.33135"
                           yFract="0.75015995"
                           z3="4.27195"
                           zFract="0.19225698"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.25184"
                           xFract="0.50377251"
                           y3="2.13827"
                           yFract="0.25334953"
                           z3="4.20389"
                           zFract="0.18919397"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.34936"
                           xFract="0.75229384"
                           y3="0.0040"
                           yFract="0.00047393"
                           z3="8.49351"
                           zFract="0.38224617"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.08866"
                           xFract="0.24747156"
                           y3="6.30727"
                           yFract="0.74730687"
                           z3="6.34207"
                           zFract="0.28542169"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10764"
                           xFract="0.24972038"
                           y3="4.20974"
                           yFract="0.49878436"
                           z3="8.44177"
                           zFract="0.37991764"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37631"
                           xFract="0.75548697"
                           y3="6.31982"
                           yFract="0.74879384"
                           z3="6.44009"
                           zFract="0.28983303"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24955"
                           xFract="0.50350118"
                           y3="2.11946"
                           yFract="0.25112085"
                           z3="8.6878"
                           zFract="0.3909901"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.31339"
                           xFract="0.74803199"
                           y3="2.13021"
                           yFract="0.25239455"
                           z3="6.4176"
                           zFract="0.28882088"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34274"
                           xFract="0.75150948"
                           y3="4.23868"
                           yFract="0.50221327"
                           z3="4.25995"
                           zFract="0.19171692"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.01016"
                           xFract="-0.00120379"
                           y3="4.2370"
                           yFract="0.50201422"
                           z3="6.35585"
                           zFract="0.28604185"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1259"
                           xFract="0.25188389"
                           y3="4.24324"
                           yFract="0.50275355"
                           z3="4.24305"
                           zFract="0.19095635"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.01183"
                           xFract="-0.00140166"
                           y3="6.32559"
                           yFract="0.74947749"
                           z3="8.67343"
                           zFract="0.39034338"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01235"
                           xFract="0.00146327"
                           y3="2.13135"
                           yFract="0.25252962"
                           z3="4.22464"
                           zFract="0.19012781"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01493"
                           xFract="-0.00176896"
                           y3="-0.0523"
                           yFract="-0.00619668"
                           z3="6.37743"
                           zFract="0.28701305"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2506"
                           xFract="0.50362559"
                           y3="0.05938"
                           yFract="0.00703555"
                           z3="6.41461"
                           zFract="0.28868632"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14341"
                           xFract="0.25395853"
                           y3="2.11031"
                           yFract="0.25003673"
                           z3="6.40109"
                           zFract="0.28807786"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02731"
                           xFract="-0.00323578"
                           y3="2.11484"
                           yFract="0.25057346"
                           z3="8.53409"
                           zFract="0.38407246"/>
                     <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="-0.06402"
                           xFract="-0.00758531"
                           y3="2.21427"
                           yFract="0.26235427"
                           z3="6.32681"
                           zFract="0.28473492"/>
                     <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="2.09726"
                           xFract="0.24849052"
                           y3="-0.03864"
                           yFract="-0.0045782"
                           z3="6.35673"
                           zFract="0.28608146"/>
                     <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="-0.00791"
                           xFract="-0.0009372"
                           y3="-0.01561"
                           yFract="-0.00184953"
                           z3="4.21002"
                           zFract="0.18946985"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01916"
                           xFract="0.00227014"
                           y3="-0.03058"
                           yFract="-0.00362322"
                           z3="8.49752"
                           zFract="0.38242664"/>
                     <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="2.15075"
                           xFract="0.2548282"
                           y3="2.08172"
                           yFract="0.24664929"
                           z3="4.26062"
                           zFract="0.19174707"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.07854"
                           xFract="0.24627251"
                           y3="2.10943"
                           yFract="0.24993246"
                           z3="8.50765"
                           zFract="0.38288254"/>
                     <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="4.28836"
                           xFract="0.50809953"
                           y3="2.21866"
                           yFract="0.26287441"
                           z3="6.24544"
                           zFract="0.28107291"/>
                     <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="6.35517"
                           xFract="0.75298223"
                           y3="-0.02771"
                           yFract="-0.00328318"
                           z3="6.36311"
                           zFract="0.28636859"/>
                     <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="4.25198"
                           xFract="0.5037891"
                           y3="0.00087"
                           yFract="0.00010308"
                           z3="4.31595"
                           zFract="0.19423717"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22464"
                           xFract="0.50054976"
                           y3="0.00594"
                           yFract="0.00070379"
                           z3="8.5030"
                           zFract="0.38267327"/>
                     <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="6.32168"
                           xFract="0.74901422"
                           y3="1.99301"
                           yFract="0.23613863"
                           z3="4.06146"
                           zFract="0.18278398"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.35919"
                           xFract="0.75345853"
                           y3="2.09976"
                           yFract="0.24878673"
                           z3="8.67866"
                           zFract="0.39057876"/>
                     <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="0.00819"
                           xFract="0.00097038"
                           y3="6.22711"
                           yFract="0.73780924"
                           z3="6.17111"
                           zFract="0.27772772"/>
                     <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="2.30161"
                           xFract="0.27270261"
                           y3="4.23552"
                           yFract="0.50183886"
                           z3="6.36438"
                           zFract="0.28642574"/>
                     <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="-0.09226"
                           xFract="-0.01093128"
                           y3="4.25679"
                           yFract="0.504359"
                           z3="4.20161"
                           zFract="0.18909136"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00043"
                           xFract="-0.00005095"
                           y3="4.2592"
                           yFract="0.50464455"
                           z3="8.44038"
                           zFract="0.37985509"/>
                     <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="2.16669"
                           xFract="0.25671682"
                           y3="6.37746"
                           yFract="0.75562322"
                           z3="4.21509"
                           zFract="0.18969802"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11669"
                           xFract="0.25079265"
                           y3="6.30389"
                           yFract="0.7469064"
                           z3="8.47668"
                           zFract="0.38148875"/>
                     <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="4.21822"
                           xFract="0.4997891"
                           y3="6.24665"
                           yFract="0.74012441"
                           z3="6.38175"
                           zFract="0.28720747"/>
                     <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="6.14067"
                           xFract="0.72756754"
                           y3="4.2625"
                           yFract="0.50503555"
                           z3="6.42763"
                           zFract="0.28927228"/>
                     <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="4.33901"
                           xFract="0.51410071"
                           y3="4.24809"
                           yFract="0.5033282"
                           z3="4.23249"
                           zFract="0.1904811"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21839"
                           xFract="0.49980924"
                           y3="4.1924"
                           yFract="0.49672986"
                           z3="8.52919"
                           zFract="0.38385194"/>
                     <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="6.34953"
                           xFract="0.75231398"
                           y3="6.47116"
                           yFract="0.76672512"
                           z3="4.10872"
                           zFract="0.18491089"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33119"
                           xFract="0.750141"
                           y3="6.34882"
                           yFract="0.75222986"
                           z3="8.70044"
                           zFract="0.39155896"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a67" 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.29">
                  <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="6.32721"
                           xFract="0.74966943"
                           y3="4.2388"
                           yFract="0.50222749"
                           z3="8.4894"
                           zFract="0.38206121"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.33039"
                           xFract="0.75004621"
                           y3="0.00905"
                           yFract="0.00107227"
                           z3="4.21258"
                           zFract="0.18958506"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00368"
                           xFract="0.00043602"
                           y3="6.34349"
                           yFract="0.75159834"
                           z3="4.18735"
                           zFract="0.18844959"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.22931"
                           xFract="0.50110308"
                           y3="4.2185"
                           yFract="0.49982227"
                           z3="6.40884"
                           zFract="0.28842664"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.11527"
                           xFract="0.25062441"
                           y3="-0.02972"
                           yFract="-0.00352133"
                           z3="8.4381"
                           zFract="0.37975248"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.24826"
                           xFract="0.50334834"
                           y3="6.31393"
                           yFract="0.74809597"
                           z3="8.4649"
                           zFract="0.3809586"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.13253"
                           xFract="0.25266943"
                           y3="0.01139"
                           yFract="0.00134953"
                           z3="4.2111"
                           zFract="0.18951845"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.28284"
                           xFract="0.5074455"
                           y3="6.33085"
                           yFract="0.75010071"
                           z3="4.2720"
                           zFract="0.19225923"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.25236"
                           xFract="0.50383412"
                           y3="2.13862"
                           yFract="0.253391"
                           z3="4.20364"
                           zFract="0.18918272"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3494"
                           xFract="0.75229858"
                           y3="0.00407"
                           yFract="0.00048223"
                           z3="8.49469"
                           zFract="0.38229928"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.08848"
                           xFract="0.24745024"
                           y3="6.30716"
                           yFract="0.74729384"
                           z3="6.34237"
                           zFract="0.28543519"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10805"
                           xFract="0.24976896"
                           y3="4.20965"
                           yFract="0.4987737"
                           z3="8.44231"
                           zFract="0.37994194"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.37669"
                           xFract="0.75553199"
                           y3="6.32003"
                           yFract="0.74881872"
                           z3="6.44083"
                           zFract="0.28986634"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.24977"
                           xFract="0.50352725"
                           y3="2.1196"
                           yFract="0.25113744"
                           z3="8.68933"
                           zFract="0.39105896"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.31398"
                           xFract="0.7481019"
                           y3="2.13018"
                           yFract="0.252391"
                           z3="6.41786"
                           zFract="0.28883258"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34315"
                           xFract="0.75155806"
                           y3="4.23847"
                           yFract="0.50218839"
                           z3="4.26061"
                           zFract="0.19174662"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.01035"
                           xFract="-0.0012263"
                           y3="4.23617"
                           yFract="0.50191588"
                           z3="6.35653"
                           zFract="0.28607246"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12625"
                           xFract="0.25192536"
                           y3="4.24355"
                           yFract="0.50279028"
                           z3="4.2435"
                           zFract="0.1909766"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.01207"
                           xFract="-0.00143009"
                           y3="6.32574"
                           yFract="0.74949526"
                           z3="8.67465"
                           zFract="0.39039829"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01212"
                           xFract="0.00143602"
                           y3="2.13177"
                           yFract="0.25257938"
                           z3="4.22442"
                           zFract="0.19011791"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01471"
                           xFract="-0.00174289"
                           y3="-0.05137"
                           yFract="-0.00608649"
                           z3="6.37791"
                           zFract="0.28703465"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.25145"
                           xFract="0.5037263"
                           y3="0.06019"
                           yFract="0.00713152"
                           z3="6.41565"
                           zFract="0.28873312"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1435"
                           xFract="0.25396919"
                           y3="2.11074"
                           yFract="0.25008768"
                           z3="6.40147"
                           zFract="0.28809496"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02728"
                           xFract="-0.00323223"
                           y3="2.11516"
                           yFract="0.25061137"
                           z3="8.53473"
                           zFract="0.38410126"/>
                     <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="-0.06415"
                           xFract="-0.00760071"
                           y3="2.21429"
                           yFract="0.26235664"
                           z3="6.32704"
                           zFract="0.28474527"/>
                     <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="2.0972"
                           xFract="0.24848341"
                           y3="-0.03848"
                           yFract="-0.00455924"
                           z3="6.35757"
                           zFract="0.28611926"/>
                     <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="-0.00754"
                           xFract="-0.00089336"
                           y3="-0.01578"
                           yFract="-0.00186967"
                           z3="4.2101"
                           zFract="0.18947345"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01936"
                           xFract="0.00229384"
                           y3="-0.03098"
                           yFract="-0.00367062"
                           z3="8.49849"
                           zFract="0.3824703"/>
                     <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="2.1508"
                           xFract="0.25483412"
                           y3="2.08158"
                           yFract="0.2466327"
                           z3="4.26063"
                           zFract="0.19174752"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.07809"
                           xFract="0.24621919"
                           y3="2.10957"
                           yFract="0.24994905"
                           z3="8.50799"
                           zFract="0.38289784"/>
                     <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="4.28896"
                           xFract="0.50817062"
                           y3="2.22003"
                           yFract="0.26303673"
                           z3="6.24529"
                           zFract="0.28106616"/>
                     <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="6.35538"
                           xFract="0.75300711"
                           y3="-0.02806"
                           yFract="-0.00332464"
                           z3="6.36399"
                           zFract="0.28640819"/>
                     <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="4.2520"
                           xFract="0.50379147"
                           y3="0.00094"
                           yFract="0.00011137"
                           z3="4.31724"
                           zFract="0.19429523"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22455"
                           xFract="0.5005391"
                           y3="0.00627"
                           yFract="0.00074289"
                           z3="8.50358"
                           zFract="0.38269937"/>
                     <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="6.32205"
                           xFract="0.74905806"
                           y3="1.9930"
                           yFract="0.23613744"
                           z3="4.06147"
                           zFract="0.18278443"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.35984"
                           xFract="0.75353555"
                           y3="2.09954"
                           yFract="0.24876066"
                           z3="8.68019"
                           zFract="0.39064761"/>
                     <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="0.0079"
                           xFract="0.00093602"
                           y3="6.22728"
                           yFract="0.73782938"
                           z3="6.16999"
                           zFract="0.27767732"/>
                     <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="2.30112"
                           xFract="0.27264455"
                           y3="4.23539"
                           yFract="0.50182346"
                           z3="6.36471"
                           zFract="0.28644059"/>
                     <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="-0.09184"
                           xFract="-0.01088152"
                           y3="4.25698"
                           yFract="0.50438152"
                           z3="4.20286"
                           zFract="0.18914761"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00023"
                           xFract="-0.00002725"
                           y3="4.25956"
                           yFract="0.5046872"
                           z3="8.44064"
                           zFract="0.37986679"/>
                     <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="2.16711"
                           xFract="0.25676659"
                           y3="6.37717"
                           yFract="0.75558886"
                           z3="4.21528"
                           zFract="0.18970657"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11674"
                           xFract="0.25079858"
                           y3="6.30372"
                           yFract="0.74688626"
                           z3="8.47723"
                           zFract="0.3815135"/>
                     <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="4.21884"
                           xFract="0.49986256"
                           y3="6.24548"
                           yFract="0.73998578"
                           z3="6.3826"
                           zFract="0.28724572"/>
                     <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="6.14095"
                           xFract="0.72760071"
                           y3="4.26272"
                           yFract="0.50506161"
                           z3="6.42983"
                           zFract="0.28937129"/>
                     <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="4.33908"
                           xFract="0.514109"
                           y3="4.24824"
                           yFract="0.50334597"
                           z3="4.23169"
                           zFract="0.19044509"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21819"
                           xFract="0.49978555"
                           y3="4.19245"
                           yFract="0.49673578"
                           z3="8.53183"
                           zFract="0.38397075"/>
                     <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="6.34958"
                           xFract="0.75231991"
                           y3="6.4702"
                           yFract="0.76661137"
                           z3="4.10865"
                           zFract="0.18490774"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33118"
                           xFract="0.75013981"
                           y3="6.34882"
                           yFract="0.75222986"
                           z3="8.70249"
                           zFract="0.39165122"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a67" 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.30">
                  <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="6.32567"
                           xFract="0.74948697"
                           y3="4.23888"
                           yFract="0.50223697"
                           z3="8.49716"
                           zFract="0.38241044"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.33177"
                           xFract="0.75020972"
                           y3="0.00165"
                           yFract="0.0001955"
                           z3="4.21829"
                           zFract="0.18984203"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.0040"
                           xFract="0.00047393"
                           y3="6.34244"
                           yFract="0.75147393"
                           z3="4.18131"
                           zFract="0.18817777"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2257"
                           xFract="0.50067536"
                           y3="4.21867"
                           yFract="0.49984242"
                           z3="6.41284"
                           zFract="0.28860666"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.11373"
                           xFract="0.25044194"
                           y3="-0.02891"
                           yFract="-0.00342536"
                           z3="8.44255"
                           zFract="0.37995275"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.25097"
                           xFract="0.50366943"
                           y3="6.31306"
                           yFract="0.74799289"
                           z3="8.47072"
                           zFract="0.38122052"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1333"
                           xFract="0.25276066"
                           y3="0.01344"
                           yFract="0.00159242"
                           z3="4.21562"
                           zFract="0.18972187"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.28428"
                           xFract="0.50761611"
                           y3="6.33027"
                           yFract="0.75003199"
                           z3="4.27394"
                           zFract="0.19234653"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.25178"
                           xFract="0.5037654"
                           y3="2.14061"
                           yFract="0.25362678"
                           z3="4.20506"
                           zFract="0.18924662"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.35129"
                           xFract="0.75252251"
                           y3="0.00386"
                           yFract="0.00045735"
                           z3="8.50104"
                           zFract="0.38258506"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.08544"
                           xFract="0.24709005"
                           y3="6.30698"
                           yFract="0.74727251"
                           z3="6.34431"
                           zFract="0.2855225"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.11029"
                           xFract="0.25003436"
                           y3="4.20883"
                           yFract="0.49867654"
                           z3="8.44671"
                           zFract="0.38013996"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.38076"
                           xFract="0.75601422"
                           y3="6.31852"
                           yFract="0.74863981"
                           z3="6.44183"
                           zFract="0.28991134"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25061"
                           xFract="0.50362678"
                           y3="2.12099"
                           yFract="0.25130213"
                           z3="8.69953"
                           zFract="0.391518"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.31546"
                           xFract="0.74827725"
                           y3="2.13228"
                           yFract="0.25263981"
                           z3="6.41723"
                           zFract="0.28880423"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34358"
                           xFract="0.751609"
                           y3="4.23927"
                           yFract="0.50228318"
                           z3="4.2631"
                           zFract="0.19185869"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.01306"
                           xFract="-0.00154739"
                           y3="4.23886"
                           yFract="0.5022346"
                           z3="6.36159"
                           zFract="0.28630018"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12917"
                           xFract="0.25227133"
                           y3="4.24354"
                           yFract="0.5027891"
                           z3="4.24707"
                           zFract="0.19113726"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.01209"
                           xFract="-0.00143246"
                           y3="6.32543"
                           yFract="0.74945853"
                           z3="8.68163"
                           zFract="0.39071242"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01597"
                           xFract="0.00189218"
                           y3="2.13466"
                           yFract="0.2529218"
                           z3="4.2236"
                           zFract="0.19008101"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01103"
                           xFract="-0.00130687"
                           y3="-0.04813"
                           yFract="-0.00570261"
                           z3="6.38113"
                           zFract="0.28717957"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2533"
                           xFract="0.5039455"
                           y3="0.06597"
                           yFract="0.00781635"
                           z3="6.41943"
                           zFract="0.28890324"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14444"
                           xFract="0.25408057"
                           y3="2.11243"
                           yFract="0.25028791"
                           z3="6.40169"
                           zFract="0.28810486"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02581"
                           xFract="-0.00305806"
                           y3="2.11573"
                           yFract="0.25067891"
                           z3="8.54164"
                           zFract="0.38441224"/>
                     <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="-0.06491"
                           xFract="-0.00769076"
                           y3="2.21332"
                           yFract="0.26224171"
                           z3="6.32806"
                           zFract="0.28479118"/>
                     <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="2.09567"
                           xFract="0.24830213"
                           y3="-0.03694"
                           yFract="-0.00437678"
                           z3="6.36263"
                           zFract="0.28634698"/>
                     <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="-0.00433"
                           xFract="-0.00051303"
                           y3="-0.0174"
                           yFract="-0.00206161"
                           z3="4.21055"
                           zFract="0.1894937"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0186"
                           xFract="0.00220379"
                           y3="-0.03043"
                           yFract="-0.00360545"
                           z3="8.50252"
                           zFract="0.38265167"/>
                     <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="2.15053"
                           xFract="0.25480213"
                           y3="2.08184"
                           yFract="0.24666351"
                           z3="4.26058"
                           zFract="0.19174527"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.07549"
                           xFract="0.24591114"
                           y3="2.10939"
                           yFract="0.24992773"
                           z3="8.51131"
                           zFract="0.38304725"/>
                     <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="4.29331"
                           xFract="0.50868602"
                           y3="2.22717"
                           yFract="0.2638827"
                           z3="6.24358"
                           zFract="0.2809892"/>
                     <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="6.35915"
                           xFract="0.75345379"
                           y3="-0.02805"
                           yFract="-0.00332346"
                           z3="6.36785"
                           zFract="0.28658191"/>
                     <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="4.25222"
                           xFract="0.50381754"
                           y3="0.00142"
                           yFract="0.00016825"
                           z3="4.32482"
                           zFract="0.19463636"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22614"
                           xFract="0.50072749"
                           y3="0.00549"
                           yFract="0.00065047"
                           z3="8.50536"
                           zFract="0.38277948"/>
                     <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="6.32373"
                           xFract="0.74925711"
                           y3="1.99865"
                           yFract="0.23680687"
                           z3="4.06326"
                           zFract="0.18286499"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.36289"
                           xFract="0.75389692"
                           y3="2.09885"
                           yFract="0.24867891"
                           z3="8.68562"
                           zFract="0.39089199"/>
                     <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="0.00629"
                           xFract="0.00074526"
                           y3="6.22578"
                           yFract="0.73765166"
                           z3="6.16748"
                           zFract="0.27756436"/>
                     <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="2.30074"
                           xFract="0.27259953"
                           y3="4.23604"
                           yFract="0.50190047"
                           z3="6.36695"
                           zFract="0.2865414"/>
                     <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="-0.08651"
                           xFract="-0.01025"
                           y3="4.25675"
                           yFract="0.50435427"
                           z3="4.20986"
                           zFract="0.18946265"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00002"
                           xFract="0.00000237"
                           y3="4.26112"
                           yFract="0.50487204"
                           z3="8.44389"
                           zFract="0.38001305"/>
                     <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="2.16937"
                           xFract="0.25703436"
                           y3="6.37654"
                           yFract="0.75551422"
                           z3="4.21651"
                           zFract="0.18976193"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1157"
                           xFract="0.25067536"
                           y3="6.30438"
                           yFract="0.74696445"
                           z3="8.4773"
                           zFract="0.38151665"/>
                     <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="4.22023"
                           xFract="0.50002725"
                           y3="6.23872"
                           yFract="0.73918483"
                           z3="6.38686"
                           zFract="0.28743744"/>
                     <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="6.14305"
                           xFract="0.72784953"
                           y3="4.26234"
                           yFract="0.50501659"
                           z3="6.43918"
                           zFract="0.28979208"/>
                     <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="4.33834"
                           xFract="0.51402133"
                           y3="4.2470"
                           yFract="0.50319905"
                           z3="4.22668"
                           zFract="0.19021962"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2170"
                           xFract="0.49964455"
                           y3="4.19472"
                           yFract="0.49700474"
                           z3="8.54966"
                           zFract="0.38477318"/>
                     <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="6.3509"
                           xFract="0.7524763"
                           y3="6.46656"
                           yFract="0.76618009"
                           z3="4.10925"
                           zFract="0.18493474"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3327"
                           xFract="0.75031991"
                           y3="6.3483"
                           yFract="0.75216825"
                           z3="8.71225"
                           zFract="0.39209046"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a67" 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.31">
                  <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="6.32594"
                           xFract="0.74951896"
                           y3="4.23886"
                           yFract="0.5022346"
                           z3="8.49583"
                           zFract="0.38235059"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.33153"
                           xFract="0.75018128"
                           y3="0.00292"
                           yFract="0.00034597"
                           z3="4.21731"
                           zFract="0.18979793"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00395"
                           xFract="0.00046801"
                           y3="6.34262"
                           yFract="0.75149526"
                           z3="4.18235"
                           zFract="0.18822457"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.22632"
                           xFract="0.50074882"
                           y3="4.21864"
                           yFract="0.49983886"
                           z3="6.41215"
                           zFract="0.28857561"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1140"
                           xFract="0.25047393"
                           y3="-0.02905"
                           yFract="-0.00344194"
                           z3="8.44178"
                           zFract="0.37991809"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.2505"
                           xFract="0.50361374"
                           y3="6.31321"
                           yFract="0.74801066"
                           z3="8.46971"
                           zFract="0.38117507"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.13317"
                           xFract="0.25274526"
                           y3="0.01309"
                           yFract="0.00155095"
                           z3="4.21485"
                           zFract="0.18968722"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.28403"
                           xFract="0.50758649"
                           y3="6.33037"
                           yFract="0.75004384"
                           z3="4.27361"
                           zFract="0.19233168"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.25188"
                           xFract="0.50377725"
                           y3="2.14027"
                           yFract="0.25358649"
                           z3="4.20482"
                           zFract="0.18923582"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.35097"
                           xFract="0.7524846"
                           y3="0.00389"
                           yFract="0.0004609"
                           z3="8.49995"
                           zFract="0.382536"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.08597"
                           xFract="0.24715284"
                           y3="6.30701"
                           yFract="0.74727607"
                           z3="6.34398"
                           zFract="0.28550765"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.10991"
                           xFract="0.24998934"
                           y3="4.20897"
                           yFract="0.49869313"
                           z3="8.44595"
                           zFract="0.38010576"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.38006"
                           xFract="0.75593128"
                           y3="6.31878"
                           yFract="0.74867062"
                           z3="6.44166"
                           zFract="0.28990369"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.25047"
                           xFract="0.50361019"
                           y3="2.12075"
                           yFract="0.2512737"
                           z3="8.69777"
                           zFract="0.39143879"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3152"
                           xFract="0.74824645"
                           y3="2.13192"
                           yFract="0.25259716"
                           z3="6.41734"
                           zFract="0.28880918"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3435"
                           xFract="0.75159953"
                           y3="4.23914"
                           yFract="0.50226777"
                           z3="4.26267"
                           zFract="0.19183933"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.01259"
                           xFract="-0.00149171"
                           y3="4.23839"
                           yFract="0.50217891"
                           z3="6.36072"
                           zFract="0.28626103"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12867"
                           xFract="0.25221209"
                           y3="4.24354"
                           yFract="0.5027891"
                           z3="4.24645"
                           zFract="0.19110936"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.01208"
                           xFract="-0.00143128"
                           y3="6.32548"
                           yFract="0.74946445"
                           z3="8.68043"
                           zFract="0.39065842"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.0153"
                           xFract="0.0018128"
                           y3="2.13416"
                           yFract="0.25286256"
                           z3="4.22374"
                           zFract="0.19008731"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="-0.01167"
                           xFract="-0.0013827"
                           y3="-0.04869"
                           yFract="-0.00576896"
                           z3="6.38058"
                           zFract="0.28715482"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.25298"
                           xFract="0.50390758"
                           y3="0.06498"
                           yFract="0.00769905"
                           z3="6.41878"
                           zFract="0.28887399"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14428"
                           xFract="0.25406161"
                           y3="2.11214"
                           yFract="0.25025355"
                           z3="6.40165"
                           zFract="0.28810306"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02606"
                           xFract="-0.00308768"
                           y3="2.11563"
                           yFract="0.25066706"
                           z3="8.54045"
                           zFract="0.38435869"/>
                     <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="-0.06478"
                           xFract="-0.00767536"
                           y3="2.21349"
                           yFract="0.26226185"
                           z3="6.32788"
                           zFract="0.28478308"/>
                     <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="2.09593"
                           xFract="0.24833294"
                           y3="-0.03721"
                           yFract="-0.00440877"
                           z3="6.36176"
                           zFract="0.28630783"/>
                     <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="-0.00488"
                           xFract="-0.0005782"
                           y3="-0.01712"
                           yFract="-0.00202844"
                           z3="4.21047"
                           zFract="0.1894901"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01873"
                           xFract="0.00221919"
                           y3="-0.03052"
                           yFract="-0.00361611"
                           z3="8.50183"
                           zFract="0.38262061"/>
                     <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="2.15058"
                           xFract="0.25480806"
                           y3="2.08179"
                           yFract="0.24665758"
                           z3="4.26059"
                           zFract="0.19174572"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.07594"
                           xFract="0.24596445"
                           y3="2.10942"
                           yFract="0.24993128"
                           z3="8.51074"
                           zFract="0.3830216"/>
                     <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="4.29256"
                           xFract="0.50859716"
                           y3="2.22594"
                           yFract="0.26373697"
                           z3="6.24388"
                           zFract="0.2810027"/>
                     <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="6.3585"
                           xFract="0.75337678"
                           y3="-0.02805"
                           yFract="-0.00332346"
                           z3="6.36719"
                           zFract="0.28655221"/>
                     <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="4.25218"
                           xFract="0.5038128"
                           y3="0.00134"
                           yFract="0.00015877"
                           z3="4.32351"
                           zFract="0.19457741"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22586"
                           xFract="0.50069431"
                           y3="0.00563"
                           yFract="0.00066706"
                           z3="8.50505"
                           zFract="0.38276553"/>
                     <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="6.32344"
                           xFract="0.74922275"
                           y3="1.99768"
                           yFract="0.23669194"
                           z3="4.06295"
                           zFract="0.18285104"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.36236"
                           xFract="0.75383412"
                           y3="2.09896"
                           yFract="0.24869194"
                           z3="8.68468"
                           zFract="0.39084968"/>
                     <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="0.00656"
                           xFract="0.00077725"
                           y3="6.22604"
                           yFract="0.73768246"
                           z3="6.16791"
                           zFract="0.27758371"/>
                     <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="2.30081"
                           xFract="0.27260782"
                           y3="4.23593"
                           yFract="0.50188744"
                           z3="6.36657"
                           zFract="0.2865243"/>
                     <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="-0.08743"
                           xFract="-0.010359"
                           y3="4.25679"
                           yFract="0.504359"
                           z3="4.20865"
                           zFract="0.18940819"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00002"
                           xFract="-0.00000237"
                           y3="4.26085"
                           yFract="0.50484005"
                           z3="8.44333"
                           zFract="0.37998785"/>
                     <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="2.16898"
                           xFract="0.25698815"
                           y3="6.37665"
                           yFract="0.75552725"
                           z3="4.2163"
                           zFract="0.18975248"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11588"
                           xFract="0.25069668"
                           y3="6.30427"
                           yFract="0.74695142"
                           z3="8.47729"
                           zFract="0.3815162"/>
                     <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="4.21999"
                           xFract="0.49999882"
                           y3="6.23988"
                           yFract="0.73932227"
                           z3="6.38613"
                           zFract="0.28740459"/>
                     <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="6.14269"
                           xFract="0.72780687"
                           y3="4.2624"
                           yFract="0.5050237"
                           z3="6.43758"
                           zFract="0.28972007"/>
                     <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="4.33847"
                           xFract="0.51403673"
                           y3="4.24721"
                           yFract="0.50322393"
                           z3="4.22754"
                           zFract="0.19025833"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21721"
                           xFract="0.49966943"
                           y3="4.19433"
                           yFract="0.49695853"
                           z3="8.54659"
                           zFract="0.38463501"/>
                     <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="6.35067"
                           xFract="0.75244905"
                           y3="6.46719"
                           yFract="0.76625474"
                           z3="4.10915"
                           zFract="0.18493024"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33244"
                           xFract="0.7502891"
                           y3="6.34839"
                           yFract="0.75217891"
                           z3="8.71057"
                           zFract="0.39201485"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a3 a71" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a3 a78" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a4 a66" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a62" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a73" order="S"/>
                     <bond atomRefs2="a5 a78" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a65" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a9 a50" order="S"/>
                     <bond atomRefs2="a9 a44" order="S"/>
                     <bond atomRefs2="a9 a47" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a10 a66" order="S"/>
                     <bond atomRefs2="a10 a65" order="S"/>
                     <bond atomRefs2="a10 a61" order="S"/>
                     <bond atomRefs2="a10 a63" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a72" order="S"/>
                     <bond atomRefs2="a11 a80" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a18" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a46" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a44" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a56" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a68" order="S"/>
                     <bond atomRefs2="a14 a63" order="S"/>
                     <bond atomRefs2="a14 a61" order="S"/>
                     <bond atomRefs2="a14 a69" order="S"/>
                     <bond atomRefs2="a14 a71" order="S"/>
                     <bond atomRefs2="a15 a52" order="S"/>
                     <bond atomRefs2="a15 a56" order="S"/>
                     <bond atomRefs2="a15 a59" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a76" order="S"/>
                     <bond atomRefs2="a15 a36" order="S"/>
                     <bond atomRefs2="a15 a49" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a37" order="S"/>
                     <bond atomRefs2="a16 a57" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a46" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a43" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a19 a77" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a64" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a20 a48" order="S"/>
                     <bond atomRefs2="a20 a43" order="S"/>
                     <bond atomRefs2="a20 a45" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a72" order="S"/>
                     <bond atomRefs2="a23 a41" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a65" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a57" order="S"/>
                     <bond atomRefs2="a24 a60" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a54" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a69" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a32 a73" order="S"/>
                     <bond atomRefs2="a32 a78" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a58" order="S"/>
                     <bond atomRefs2="a33 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a41" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a46" order="S"/>
                     <bond atomRefs2="a35 a61" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a68" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a39 a64" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a40 a47" order="S"/>
                     <bond atomRefs2="a40 a67" 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">0.002 -0.000 0.006 0.001 -0.003 -0.001 0.001 0.006 0.007 -0.000 -0.000 0.003 0.002 0.001 -0.000 0.005 0.002 0.000 0.004 0.002 -0.002 -0.001 0.002 -0.005 -0.002 -0.003 -0.002 0.004 0.003 -0.005 0.005 0.006 0.005 -0.004 0.006 0.003 -0.000 0.001 -0.001 -0.003 0.004 -0.000 0.000 0.006 -0.002 0.008 0.007 0.001 -0.001 0.007 0.001 0.004 0.007 0.006 0.005 0.005 0.006 -0.003 -0.000 0.007 0.013 0.005 0.005 -0.000 0.005 0.005 0.004 0.007 0.004 0.007 0.012 0.005 0.002 0.006 0.007 0.004 0.011 0.007 0.010 0.007</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="80">0.006 -0.003 0.007 -0.000 -0.007 0.006 -0.001 0.008 0.009 -0.002 0.003 0.003 0.004 0.001 0.000 0.006 0.004 0.001 0.005 0.003 -0.002 0.000 0.003 -0.002 -0.002 -0.001 0.004 0.005 0.002 -0.001 0.001 0.004 0.006 -0.004 0.004 0.010 0.002 0.005 0.001 0.006 0.061 -0.020 0.009 0.094 -0.039 0.090 0.115 -0.038 -0.032 0.105 0.044 0.050 0.113 0.111 0.077 0.069 0.105 -0.062 -0.001 0.134 0.134 0.053 0.091 -0.043 0.050 -0.048 0.033 0.072 0.039 0.118 0.198 0.063 0.007 0.119 0.070 0.005 0.205 0.068 0.112 0.121</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="80">1.443 1.181 1.348 1.446 1.287 -0.892 0.803 1.410 1.524 1.369 0.001 0.001 0.002 -0.000 -0.000 0.002 0.002 0.001 0.001 0.001 -0.199 0.323 -0.446 0.430 0.524 0.302 -0.368 -0.449 -0.315 0.443 -0.008 0.002 0.006 -0.006 -0.006 0.020 0.005 0.005 0.003 0.016 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">1.452 1.178 1.361 1.447 1.277 -0.887 0.803 1.423 1.539 1.367 0.004 0.007 0.008 0.001 -0.000 0.013 0.008 0.002 0.010 0.006 -0.203 0.322 -0.441 0.423 0.520 0.298 -0.366 -0.440 -0.311 0.437 -0.002 0.012 0.017 -0.014 0.004 0.033 0.006 0.011 0.003 0.020 0.065 -0.021 0.010 0.099 -0.040 0.098 0.122 -0.037 -0.033 0.112 0.045 0.054 0.120 0.117 0.082 0.074 0.111 -0.065 -0.001 0.141 0.146 0.058 0.096 -0.043 0.056 -0.043 0.038 0.079 0.043 0.126 0.210 0.068 0.009 0.125 0.078 0.009 0.216 0.075 0.122 0.128</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.238</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">2.549</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">11.211</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">13.998</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-422.51226570</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-422.49811552</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-422.50519061</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.4598</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.5109361E-04</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="6.32594"
                        xFract="0.74951896"
                        y3="4.23886"
                        yFract="0.5022346"
                        z3="8.49583"
                        zFract="0.38235059"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="6.33153"
                        xFract="0.75018128"
                        y3="0.00292"
                        yFract="0.00034597"
                        z3="4.21731"
                        zFract="0.18979793"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="0.00395"
                        xFract="0.00046801"
                        y3="6.34262"
                        yFract="0.75149526"
                        z3="4.18235"
                        zFract="0.18822457"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="4.22632"
                        xFract="0.50074882"
                        y3="4.21864"
                        yFract="0.49983886"
                        z3="6.41215"
                        zFract="0.28857561"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="2.1140"
                        xFract="0.25047393"
                        y3="-0.02905"
                        yFract="-0.00344194"
                        z3="8.44178"
                        zFract="0.37991809"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="4.2505"
                        xFract="0.50361374"
                        y3="6.31321"
                        yFract="0.74801066"
                        z3="8.46971"
                        zFract="0.38117507"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.13317"
                        xFract="0.25274526"
                        y3="0.01309"
                        yFract="0.00155095"
                        z3="4.21485"
                        zFract="0.18968722"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="4.28403"
                        xFract="0.50758649"
                        y3="6.33037"
                        yFract="0.75004384"
                        z3="4.27361"
                        zFract="0.19233168"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="4.25188"
                        xFract="0.50377725"
                        y3="2.14027"
                        yFract="0.25358649"
                        z3="4.20482"
                        zFract="0.18923582"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="6.35097"
                        xFract="0.7524846"
                        y3="0.00389"
                        yFract="0.0004609"
                        z3="8.49995"
                        zFract="0.382536"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="2.08597"
                        xFract="0.24715284"
                        y3="6.30701"
                        yFract="0.74727607"
                        z3="6.34398"
                        zFract="0.28550765"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="2.10991"
                        xFract="0.24998934"
                        y3="4.20897"
                        yFract="0.49869313"
                        z3="8.44595"
                        zFract="0.38010576"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.38006"
                        xFract="0.75593128"
                        y3="6.31878"
                        yFract="0.74867062"
                        z3="6.44166"
                        zFract="0.28990369"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.25047"
                        xFract="0.50361019"
                        y3="2.12075"
                        yFract="0.2512737"
                        z3="8.69777"
                        zFract="0.39143879"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.3152"
                        xFract="0.74824645"
                        y3="2.13192"
                        yFract="0.25259716"
                        z3="6.41734"
                        zFract="0.28880918"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.3435"
                        xFract="0.75159953"
                        y3="4.23914"
                        yFract="0.50226777"
                        z3="4.26267"
                        zFract="0.19183933"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="-0.01259"
                        xFract="-0.00149171"
                        y3="4.23839"
                        yFract="0.50217891"
                        z3="6.36072"
                        zFract="0.28626103"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.12867"
                        xFract="0.25221209"
                        y3="4.24354"
                        yFract="0.5027891"
                        z3="4.24645"
                        zFract="0.19110936"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="-0.01208"
                        xFract="-0.00143128"
                        y3="6.32548"
                        yFract="0.74946445"
                        z3="8.68043"
                        zFract="0.39065842"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="0.0153"
                        xFract="0.0018128"
                        y3="2.13416"
                        yFract="0.25286256"
                        z3="4.22374"
                        zFract="0.19008731"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="-0.01167"
                        xFract="-0.0013827"
                        y3="-0.04869"
                        yFract="-0.00576896"
                        z3="6.38058"
                        zFract="0.28715482"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="4.25298"
                        xFract="0.50390758"
                        y3="0.06498"
                        yFract="0.00769905"
                        z3="6.41878"
                        zFract="0.28887399"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.14428"
                        xFract="0.25406161"
                        y3="2.11214"
                        yFract="0.25025355"
                        z3="6.40165"
                        zFract="0.28810306"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="-0.02606"
                        xFract="-0.00308768"
                        y3="2.11563"
                        yFract="0.25066706"
                        z3="8.54045"
                        zFract="0.38435869"/>
                  <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="-0.06478"
                        xFract="-0.00767536"
                        y3="2.21349"
                        yFract="0.26226185"
                        z3="6.32788"
                        zFract="0.28478308"/>
                  <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="2.09593"
                        xFract="0.24833294"
                        y3="-0.03721"
                        yFract="-0.00440877"
                        z3="6.36176"
                        zFract="0.28630783"/>
                  <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="-0.00488"
                        xFract="-0.0005782"
                        y3="-0.01712"
                        yFract="-0.00202844"
                        z3="4.21047"
                        zFract="0.1894901"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.01873"
                        xFract="0.00221919"
                        y3="-0.03052"
                        yFract="-0.00361611"
                        z3="8.50183"
                        zFract="0.38262061"/>
                  <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="2.15058"
                        xFract="0.25480806"
                        y3="2.08179"
                        yFract="0.24665758"
                        z3="4.26059"
                        zFract="0.19174572"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.07594"
                        xFract="0.24596445"
                        y3="2.10942"
                        yFract="0.24993128"
                        z3="8.51074"
                        zFract="0.3830216"/>
                  <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="4.29256"
                        xFract="0.50859716"
                        y3="2.22594"
                        yFract="0.26373697"
                        z3="6.24388"
                        zFract="0.2810027"/>
                  <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="6.3585"
                        xFract="0.75337678"
                        y3="-0.02805"
                        yFract="-0.00332346"
                        z3="6.36719"
                        zFract="0.28655221"/>
                  <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="4.25218"
                        xFract="0.5038128"
                        y3="0.00134"
                        yFract="0.00015877"
                        z3="4.32351"
                        zFract="0.19457741"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.22586"
                        xFract="0.50069431"
                        y3="0.00563"
                        yFract="0.00066706"
                        z3="8.50505"
                        zFract="0.38276553"/>
                  <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="6.32344"
                        xFract="0.74922275"
                        y3="1.99768"
                        yFract="0.23669194"
                        z3="4.06295"
                        zFract="0.18285104"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.36236"
                        xFract="0.75383412"
                        y3="2.09896"
                        yFract="0.24869194"
                        z3="8.68468"
                        zFract="0.39084968"/>
                  <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="0.00656"
                        xFract="0.00077725"
                        y3="6.22604"
                        yFract="0.73768246"
                        z3="6.16791"
                        zFract="0.27758371"/>
                  <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="2.30081"
                        xFract="0.27260782"
                        y3="4.23593"
                        yFract="0.50188744"
                        z3="6.36657"
                        zFract="0.2865243"/>
                  <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="-0.08743"
                        xFract="-0.010359"
                        y3="4.25679"
                        yFract="0.504359"
                        z3="4.20865"
                        zFract="0.18940819"/>
                  <atom elementType="O"
                        id="a67"
                        x3="-0.00002"
                        xFract="-0.00000237"
                        y3="4.26085"
                        yFract="0.50484005"
                        z3="8.44333"
                        zFract="0.37998785"/>
                  <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="2.16898"
                        xFract="0.25698815"
                        y3="6.37665"
                        yFract="0.75552725"
                        z3="4.2163"
                        zFract="0.18975248"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.11588"
                        xFract="0.25069668"
                        y3="6.30427"
                        yFract="0.74695142"
                        z3="8.47729"
                        zFract="0.3815162"/>
                  <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="4.21999"
                        xFract="0.49999882"
                        y3="6.23988"
                        yFract="0.73932227"
                        z3="6.38613"
                        zFract="0.28740459"/>
                  <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="6.14269"
                        xFract="0.72780687"
                        y3="4.2624"
                        yFract="0.5050237"
                        z3="6.43758"
                        zFract="0.28972007"/>
                  <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="4.33847"
                        xFract="0.51403673"
                        y3="4.24721"
                        yFract="0.50322393"
                        z3="4.22754"
                        zFract="0.19025833"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.21721"
                        xFract="0.49966943"
                        y3="4.19433"
                        yFract="0.49695853"
                        z3="8.54659"
                        zFract="0.38463501"/>
                  <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="6.35067"
                        xFract="0.75244905"
                        y3="6.46719"
                        yFract="0.76625474"
                        z3="4.10915"
                        zFract="0.18493024"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.33244"
                        xFract="0.7502891"
                        y3="6.34839"
                        yFract="0.75217891"
                        z3="8.71057"
                        zFract="0.39201485"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a77" order="S"/>
                  <bond atomRefs2="a1 a74" order="S"/>
                  <bond atomRefs2="a1 a80" order="S"/>
                  <bond atomRefs2="a1 a60" order="S"/>
                  <bond atomRefs2="a2 a54" order="S"/>
                  <bond atomRefs2="a2 a56" order="S"/>
                  <bond atomRefs2="a2 a59" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a3 a71" order="S"/>
                  <bond atomRefs2="a3 a75" order="S"/>
                  <bond atomRefs2="a3 a78" order="S"/>
                  <bond atomRefs2="a3 a68" order="S"/>
                  <bond atomRefs2="a4 a66" order="S"/>
                  <bond atomRefs2="a4 a61" order="S"/>
                  <bond atomRefs2="a4 a62" order="S"/>
                  <bond atomRefs2="a5 a79" order="S"/>
                  <bond atomRefs2="a5 a73" order="S"/>
                  <bond atomRefs2="a5 a78" order="S"/>
                  <bond atomRefs2="a5 a71" order="S"/>
                  <bond atomRefs2="a6 a59" order="S"/>
                  <bond atomRefs2="a6 a58" order="S"/>
                  <bond atomRefs2="a6 a53" order="S"/>
                  <bond atomRefs2="a6 a51" order="S"/>
                  <bond atomRefs2="a6 a73" order="S"/>
                  <bond atomRefs2="a7 a77" order="S"/>
                  <bond atomRefs2="a7 a52" order="S"/>
                  <bond atomRefs2="a7 a74" order="S"/>
                  <bond atomRefs2="a7 a72" order="S"/>
                  <bond atomRefs2="a7 a64" order="S"/>
                  <bond atomRefs2="a8 a68" order="S"/>
                  <bond atomRefs2="a8 a63" order="S"/>
                  <bond atomRefs2="a8 a65" order="S"/>
                  <bond atomRefs2="a8 a48" order="S"/>
                  <bond atomRefs2="a8 a75" order="S"/>
                  <bond atomRefs2="a9 a50" order="S"/>
                  <bond atomRefs2="a9 a44" order="S"/>
                  <bond atomRefs2="a9 a47" order="S"/>
                  <bond atomRefs2="a9 a57" order="S"/>
                  <bond atomRefs2="a10 a66" order="S"/>
                  <bond atomRefs2="a10 a65" order="S"/>
                  <bond atomRefs2="a10 a61" order="S"/>
                  <bond atomRefs2="a10 a63" order="S"/>
                  <bond atomRefs2="a10 a41" order="S"/>
                  <bond atomRefs2="a11 a77" order="S"/>
                  <bond atomRefs2="a11 a72" order="S"/>
                  <bond atomRefs2="a11 a80" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
                  <bond atomRefs2="a11 a70" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a12 a17" order="S"/>
                  <bond atomRefs2="a12 a46" order="S"/>
                  <bond atomRefs2="a12 a49" order="S"/>
                  <bond atomRefs2="a12 a44" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a56" order="S"/>
                  <bond atomRefs2="a13 a76" order="S"/>
                  <bond atomRefs2="a13 a72" order="S"/>
                  <bond atomRefs2="a13 a71" order="S"/>
                  <bond atomRefs2="a13 a79" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a69" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a68" order="S"/>
                  <bond atomRefs2="a14 a63" order="S"/>
                  <bond atomRefs2="a14 a61" order="S"/>
                  <bond atomRefs2="a14 a69" order="S"/>
                  <bond atomRefs2="a14 a71" order="S"/>
                  <bond atomRefs2="a15 a52" order="S"/>
                  <bond atomRefs2="a15 a56" order="S"/>
                  <bond atomRefs2="a15 a59" order="S"/>
                  <bond atomRefs2="a15 a51" order="S"/>
                  <bond atomRefs2="a15 a76" order="S"/>
                  <bond atomRefs2="a15 a36" order="S"/>
                  <bond atomRefs2="a15 a49" order="S"/>
                  <bond atomRefs2="a16 a60" order="S"/>
                  <bond atomRefs2="a16 a54" order="S"/>
                  <bond atomRefs2="a16 a37" order="S"/>
                  <bond atomRefs2="a16 a57" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a17 a46" order="S"/>
                  <bond atomRefs2="a17 a45" order="S"/>
                  <bond atomRefs2="a17 a43" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a70" order="S"/>
                  <bond atomRefs2="a18 a69" order="S"/>
                  <bond atomRefs2="a18 a64" order="S"/>
                  <bond atomRefs2="a18 a62" order="S"/>
                  <bond atomRefs2="a18 a72" order="S"/>
                  <bond atomRefs2="a19 a77" order="S"/>
                  <bond atomRefs2="a19 a70" order="S"/>
                  <bond atomRefs2="a19 a64" order="S"/>
                  <bond atomRefs2="a19 a67" order="S"/>
                  <bond atomRefs2="a19 a50" order="S"/>
                  <bond atomRefs2="a19 a39" order="S"/>
                  <bond atomRefs2="a20 a48" order="S"/>
                  <bond atomRefs2="a20 a43" order="S"/>
                  <bond atomRefs2="a20 a45" order="S"/>
                  <bond atomRefs2="a20 a55" order="S"/>
                  <bond atomRefs2="a21 a48" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a21 a41" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a21 a63" order="S"/>
                  <bond atomRefs2="a21 a51" order="S"/>
                  <bond atomRefs2="a22 a74" order="S"/>
                  <bond atomRefs2="a22 a72" order="S"/>
                  <bond atomRefs2="a23 a41" order="S"/>
                  <bond atomRefs2="a23 a45" order="S"/>
                  <bond atomRefs2="a23 a48" order="S"/>
                  <bond atomRefs2="a23 a65" order="S"/>
                  <bond atomRefs2="a24 a77" order="S"/>
                  <bond atomRefs2="a24 a57" order="S"/>
                  <bond atomRefs2="a24 a60" order="S"/>
                  <bond atomRefs2="a25 a55" order="S"/>
                  <bond atomRefs2="a25 a51" order="S"/>
                  <bond atomRefs2="a25 a53" order="S"/>
                  <bond atomRefs2="a25 a43" order="S"/>
                  <bond atomRefs2="a26 a52" order="S"/>
                  <bond atomRefs2="a26 a54" order="S"/>
                  <bond atomRefs2="a26 a74" order="S"/>
                  <bond atomRefs2="a27 a76" order="S"/>
                  <bond atomRefs2="a27 a73" order="S"/>
                  <bond atomRefs2="a28 a66" order="S"/>
                  <bond atomRefs2="a28 a62" order="S"/>
                  <bond atomRefs2="a28 a67" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a29 a64" order="S"/>
                  <bond atomRefs2="a29 a69" order="S"/>
                  <bond atomRefs2="a29 a63" order="S"/>
                  <bond atomRefs2="a29 a49" order="S"/>
                  <bond atomRefs2="a30 a67" order="S"/>
                  <bond atomRefs2="a30 a70" order="S"/>
                  <bond atomRefs2="a31 a51" order="S"/>
                  <bond atomRefs2="a31 a55" order="S"/>
                  <bond atomRefs2="a31 a58" order="S"/>
                  <bond atomRefs2="a31 a75" order="S"/>
                  <bond atomRefs2="a31 a48" order="S"/>
                  <bond atomRefs2="a32 a73" order="S"/>
                  <bond atomRefs2="a32 a78" order="S"/>
                  <bond atomRefs2="a32 a75" order="S"/>
                  <bond atomRefs2="a32 a58" order="S"/>
                  <bond atomRefs2="a33 a42" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a33 a41" order="S"/>
                  <bond atomRefs2="a33 a46" order="S"/>
                  <bond atomRefs2="a33 a66" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a44" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a35 a61" order="S"/>
                  <bond atomRefs2="a35 a65" order="S"/>
                  <bond atomRefs2="a35 a68" order="S"/>
                  <bond atomRefs2="a36 a76" order="S"/>
                  <bond atomRefs2="a36 a75" order="S"/>
                  <bond atomRefs2="a36 a71" order="S"/>
                  <bond atomRefs2="a36 a73" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a36 a63" order="S"/>
                  <bond atomRefs2="a37 a52" order="S"/>
                  <bond atomRefs2="a37 a57" order="S"/>
                  <bond atomRefs2="a37 a56" order="S"/>
                  <bond atomRefs2="a37 a54" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a38 a58" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a38 a55" order="S"/>
                  <bond atomRefs2="a39 a50" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a39 a64" order="S"/>
                  <bond atomRefs2="a39 a52" order="S"/>
                  <bond atomRefs2="a40 a50" order="S"/>
                  <bond atomRefs2="a40 a42" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a67" 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>
