<?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">2024-02-12T12:49:07.000</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="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <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="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        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="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a41"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a43"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a51"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a53"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a55"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a58"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a61"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a63"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a65"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a68"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a71"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a73"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a75"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a78"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a49" order="S"/>
                  <bond atomRefs2="a1 a44" order="S"/>
                  <bond atomRefs2="a1 a43" order="S"/>
                  <bond atomRefs2="a1 a46" order="S"/>
                  <bond atomRefs2="a1 a56" order="S"/>
                  <bond atomRefs2="a2 a72" order="S"/>
                  <bond atomRefs2="a2 a77" order="S"/>
                  <bond atomRefs2="a2 a74" order="S"/>
                  <bond atomRefs2="a2 a76" order="S"/>
                  <bond atomRefs2="a2 a52" order="S"/>
                  <bond atomRefs2="a2 a64" order="S"/>
                  <bond atomRefs2="a3 a60" order="S"/>
                  <bond atomRefs2="a3 a74" order="S"/>
                  <bond atomRefs2="a3 a80" order="S"/>
                  <bond atomRefs2="a3 a77" order="S"/>
                  <bond atomRefs2="a4 a59" order="S"/>
                  <bond atomRefs2="a4 a54" order="S"/>
                  <bond atomRefs2="a4 a56" order="S"/>
                  <bond atomRefs2="a4 a53" order="S"/>
                  <bond atomRefs2="a5 a49" order="S"/>
                  <bond atomRefs2="a5 a42" order="S"/>
                  <bond atomRefs2="a5 a46" order="S"/>
                  <bond atomRefs2="a5 a41" order="S"/>
                  <bond atomRefs2="a5 a66" order="S"/>
                  <bond atomRefs2="a6 a62" order="S"/>
                  <bond atomRefs2="a6 a67" order="S"/>
                  <bond atomRefs2="a6 a70" order="S"/>
                  <bond atomRefs2="a7 a44" order="S"/>
                  <bond atomRefs2="a7 a50" order="S"/>
                  <bond atomRefs2="a7 a47" order="S"/>
                  <bond atomRefs2="a7 a57" order="S"/>
                  <bond atomRefs2="a8 a46" order="S"/>
                  <bond atomRefs2="a8 a41" order="S"/>
                  <bond atomRefs2="a8 a45" order="S"/>
                  <bond atomRefs2="a8 a43" order="S"/>
                  <bond atomRefs2="a9 a68" order="S"/>
                  <bond atomRefs2="a9 a63" order="S"/>
                  <bond atomRefs2="a9 a65" order="S"/>
                  <bond atomRefs2="a9 a48" order="S"/>
                  <bond atomRefs2="a9 a75" order="S"/>
                  <bond atomRefs2="a10 a49" order="S"/>
                  <bond atomRefs2="a10 a50" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a10 a42" order="S"/>
                  <bond atomRefs2="a10 a64" order="S"/>
                  <bond atomRefs2="a10 a52" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a73" order="S"/>
                  <bond atomRefs2="a11 a58" order="S"/>
                  <bond atomRefs2="a11 a53" order="S"/>
                  <bond atomRefs2="a11 a51" order="S"/>
                  <bond atomRefs2="a11 a59" order="S"/>
                  <bond atomRefs2="a12 a60" order="S"/>
                  <bond atomRefs2="a12 a77" order="S"/>
                  <bond atomRefs2="a12 a52" order="S"/>
                  <bond atomRefs2="a12 a57" order="S"/>
                  <bond atomRefs2="a12 a50" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a68" order="S"/>
                  <bond atomRefs2="a13 a63" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a61" order="S"/>
                  <bond atomRefs2="a13 a69" order="S"/>
                  <bond atomRefs2="a13 a71" order="S"/>
                  <bond atomRefs2="a14 a79" order="S"/>
                  <bond atomRefs2="a14 a74" order="S"/>
                  <bond atomRefs2="a14 a76" order="S"/>
                  <bond atomRefs2="a14 a73" order="S"/>
                  <bond atomRefs2="a14 a59" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a69" order="S"/>
                  <bond atomRefs2="a15 a62" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a61" order="S"/>
                  <bond atomRefs2="a15 a66" order="S"/>
                  <bond atomRefs2="a16 a72" order="S"/>
                  <bond atomRefs2="a16 a77" order="S"/>
                  <bond atomRefs2="a16 a80" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a16 a70" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a61" order="S"/>
                  <bond atomRefs2="a17 a65" order="S"/>
                  <bond atomRefs2="a17 a68" order="S"/>
                  <bond atomRefs2="a18 a66" order="S"/>
                  <bond atomRefs2="a18 a65" order="S"/>
                  <bond atomRefs2="a18 a61" order="S"/>
                  <bond atomRefs2="a18 a63" order="S"/>
                  <bond atomRefs2="a18 a41" order="S"/>
                  <bond atomRefs2="a19 a42" order="S"/>
                  <bond atomRefs2="a19 a47" order="S"/>
                  <bond atomRefs2="a19 a50" order="S"/>
                  <bond atomRefs2="a19 a67" order="S"/>
                  <bond atomRefs2="a20 a69" order="S"/>
                  <bond atomRefs2="a20 a70" order="S"/>
                  <bond atomRefs2="a20 a64" order="S"/>
                  <bond atomRefs2="a20 a62" order="S"/>
                  <bond atomRefs2="a20 a72" order="S"/>
                  <bond atomRefs2="a21 a41" order="S"/>
                  <bond atomRefs2="a21 a45" order="S"/>
                  <bond atomRefs2="a21 a48" order="S"/>
                  <bond atomRefs2="a21 a65" order="S"/>
                  <bond atomRefs2="a22 a78" order="S"/>
                  <bond atomRefs2="a22 a71" order="S"/>
                  <bond atomRefs2="a22 a75" order="S"/>
                  <bond atomRefs2="a22 a68" order="S"/>
                  <bond atomRefs2="a23 a79" order="S"/>
                  <bond atomRefs2="a23 a72" order="S"/>
                  <bond atomRefs2="a23 a76" order="S"/>
                  <bond atomRefs2="a23 a71" order="S"/>
                  <bond atomRefs2="a23 a69" order="S"/>
                  <bond atomRefs2="a24 a76" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a24 a52" order="S"/>
                  <bond atomRefs2="a24 a56" order="S"/>
                  <bond atomRefs2="a24 a51" order="S"/>
                  <bond atomRefs2="a24 a49" order="S"/>
                  <bond atomRefs2="a25 a69" order="S"/>
                  <bond atomRefs2="a25 a64" order="S"/>
                  <bond atomRefs2="a25 a63" order="S"/>
                  <bond atomRefs2="a25 a66" order="S"/>
                  <bond atomRefs2="a25 a49" order="S"/>
                  <bond atomRefs2="a25 a76" order="S"/>
                  <bond atomRefs2="a26 a78" order="S"/>
                  <bond atomRefs2="a26 a73" order="S"/>
                  <bond atomRefs2="a26 a75" order="S"/>
                  <bond atomRefs2="a26 a58" order="S"/>
                  <bond atomRefs2="a27 a56" order="S"/>
                  <bond atomRefs2="a27 a53" order="S"/>
                  <bond atomRefs2="a27 a55" order="S"/>
                  <bond atomRefs2="a27 a51" order="S"/>
                  <bond atomRefs2="a27 a43" 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 a64" order="S"/>
                  <bond atomRefs2="a29 a70" order="S"/>
                  <bond atomRefs2="a29 a67" order="S"/>
                  <bond atomRefs2="a29 a50" order="S"/>
                  <bond atomRefs2="a29 a77" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a47" order="S"/>
                  <bond atomRefs2="a30 a44" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a31 a60" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a57" order="S"/>
                  <bond atomRefs2="a32 a60" order="S"/>
                  <bond atomRefs2="a32 a74" order="S"/>
                  <bond atomRefs2="a32 a59" order="S"/>
                  <bond atomRefs2="a32 a54" order="S"/>
                  <bond atomRefs2="a32 a52" order="S"/>
                  <bond atomRefs2="a33 a78" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
                  <bond atomRefs2="a33 a71" order="S"/>
                  <bond atomRefs2="a33 a79" order="S"/>
                  <bond atomRefs2="a34 a48" order="S"/>
                  <bond atomRefs2="a34 a43" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a55" order="S"/>
                  <bond atomRefs2="a35 a58" order="S"/>
                  <bond atomRefs2="a35 a53" order="S"/>
                  <bond atomRefs2="a35 a55" order="S"/>
                  <bond atomRefs2="a36 a76" order="S"/>
                  <bond atomRefs2="a36 a73" order="S"/>
                  <bond atomRefs2="a36 a75" order="S"/>
                  <bond atomRefs2="a36 a71" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a36 a63" order="S"/>
                  <bond atomRefs2="a37 a75" order="S"/>
                  <bond atomRefs2="a37 a58" order="S"/>
                  <bond atomRefs2="a37 a51" order="S"/>
                  <bond atomRefs2="a37 a55" order="S"/>
                  <bond atomRefs2="a37 a48" order="S"/>
                  <bond atomRefs2="a38 a48" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a38 a41" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a38 a63" order="S"/>
                  <bond atomRefs2="a38 a51" order="S"/>
                  <bond atomRefs2="a39 a54" order="S"/>
                  <bond atomRefs2="a39 a57" order="S"/>
                  <bond atomRefs2="a39 a52" order="S"/>
                  <bond atomRefs2="a39 a56" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a40 a79" order="S"/>
                  <bond atomRefs2="a40 a80" order="S"/>
                  <bond atomRefs2="a40 a74" order="S"/>
                  <bond atomRefs2="a40 a72" 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="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <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="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        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="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a41"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a43"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a51"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a53"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a55"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a58"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a61"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a63"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a65"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a68"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a71"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a73"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a75"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a78"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a49" order="S"/>
                  <bond atomRefs2="a1 a44" order="S"/>
                  <bond atomRefs2="a1 a43" order="S"/>
                  <bond atomRefs2="a1 a46" order="S"/>
                  <bond atomRefs2="a1 a56" order="S"/>
                  <bond atomRefs2="a2 a72" order="S"/>
                  <bond atomRefs2="a2 a77" order="S"/>
                  <bond atomRefs2="a2 a74" order="S"/>
                  <bond atomRefs2="a2 a76" order="S"/>
                  <bond atomRefs2="a2 a52" order="S"/>
                  <bond atomRefs2="a2 a64" order="S"/>
                  <bond atomRefs2="a3 a60" order="S"/>
                  <bond atomRefs2="a3 a74" order="S"/>
                  <bond atomRefs2="a3 a80" order="S"/>
                  <bond atomRefs2="a3 a77" order="S"/>
                  <bond atomRefs2="a4 a59" order="S"/>
                  <bond atomRefs2="a4 a54" order="S"/>
                  <bond atomRefs2="a4 a56" order="S"/>
                  <bond atomRefs2="a4 a53" order="S"/>
                  <bond atomRefs2="a5 a49" order="S"/>
                  <bond atomRefs2="a5 a42" order="S"/>
                  <bond atomRefs2="a5 a46" order="S"/>
                  <bond atomRefs2="a5 a41" order="S"/>
                  <bond atomRefs2="a5 a66" order="S"/>
                  <bond atomRefs2="a6 a62" order="S"/>
                  <bond atomRefs2="a6 a67" order="S"/>
                  <bond atomRefs2="a6 a70" order="S"/>
                  <bond atomRefs2="a7 a44" order="S"/>
                  <bond atomRefs2="a7 a50" order="S"/>
                  <bond atomRefs2="a7 a47" order="S"/>
                  <bond atomRefs2="a7 a57" order="S"/>
                  <bond atomRefs2="a8 a46" order="S"/>
                  <bond atomRefs2="a8 a41" order="S"/>
                  <bond atomRefs2="a8 a45" order="S"/>
                  <bond atomRefs2="a8 a43" order="S"/>
                  <bond atomRefs2="a9 a68" order="S"/>
                  <bond atomRefs2="a9 a63" order="S"/>
                  <bond atomRefs2="a9 a65" order="S"/>
                  <bond atomRefs2="a9 a48" order="S"/>
                  <bond atomRefs2="a9 a75" order="S"/>
                  <bond atomRefs2="a10 a49" order="S"/>
                  <bond atomRefs2="a10 a50" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a10 a42" order="S"/>
                  <bond atomRefs2="a10 a64" order="S"/>
                  <bond atomRefs2="a10 a52" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a73" order="S"/>
                  <bond atomRefs2="a11 a58" order="S"/>
                  <bond atomRefs2="a11 a53" order="S"/>
                  <bond atomRefs2="a11 a51" order="S"/>
                  <bond atomRefs2="a11 a59" order="S"/>
                  <bond atomRefs2="a12 a60" order="S"/>
                  <bond atomRefs2="a12 a77" order="S"/>
                  <bond atomRefs2="a12 a52" order="S"/>
                  <bond atomRefs2="a12 a57" order="S"/>
                  <bond atomRefs2="a12 a50" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a68" order="S"/>
                  <bond atomRefs2="a13 a63" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a61" order="S"/>
                  <bond atomRefs2="a13 a69" order="S"/>
                  <bond atomRefs2="a13 a71" order="S"/>
                  <bond atomRefs2="a14 a79" order="S"/>
                  <bond atomRefs2="a14 a74" order="S"/>
                  <bond atomRefs2="a14 a76" order="S"/>
                  <bond atomRefs2="a14 a73" order="S"/>
                  <bond atomRefs2="a14 a59" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a69" order="S"/>
                  <bond atomRefs2="a15 a62" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a61" order="S"/>
                  <bond atomRefs2="a15 a66" order="S"/>
                  <bond atomRefs2="a16 a72" order="S"/>
                  <bond atomRefs2="a16 a77" order="S"/>
                  <bond atomRefs2="a16 a80" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a16 a70" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a61" order="S"/>
                  <bond atomRefs2="a17 a65" order="S"/>
                  <bond atomRefs2="a17 a68" order="S"/>
                  <bond atomRefs2="a18 a66" order="S"/>
                  <bond atomRefs2="a18 a65" order="S"/>
                  <bond atomRefs2="a18 a61" order="S"/>
                  <bond atomRefs2="a18 a63" order="S"/>
                  <bond atomRefs2="a18 a41" order="S"/>
                  <bond atomRefs2="a19 a42" order="S"/>
                  <bond atomRefs2="a19 a47" order="S"/>
                  <bond atomRefs2="a19 a50" order="S"/>
                  <bond atomRefs2="a19 a67" order="S"/>
                  <bond atomRefs2="a20 a69" order="S"/>
                  <bond atomRefs2="a20 a70" order="S"/>
                  <bond atomRefs2="a20 a64" order="S"/>
                  <bond atomRefs2="a20 a62" order="S"/>
                  <bond atomRefs2="a20 a72" order="S"/>
                  <bond atomRefs2="a21 a41" order="S"/>
                  <bond atomRefs2="a21 a45" order="S"/>
                  <bond atomRefs2="a21 a48" order="S"/>
                  <bond atomRefs2="a21 a65" order="S"/>
                  <bond atomRefs2="a22 a78" order="S"/>
                  <bond atomRefs2="a22 a71" order="S"/>
                  <bond atomRefs2="a22 a75" order="S"/>
                  <bond atomRefs2="a22 a68" order="S"/>
                  <bond atomRefs2="a23 a79" order="S"/>
                  <bond atomRefs2="a23 a72" order="S"/>
                  <bond atomRefs2="a23 a76" order="S"/>
                  <bond atomRefs2="a23 a71" order="S"/>
                  <bond atomRefs2="a23 a69" order="S"/>
                  <bond atomRefs2="a24 a76" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a24 a52" order="S"/>
                  <bond atomRefs2="a24 a56" order="S"/>
                  <bond atomRefs2="a24 a51" order="S"/>
                  <bond atomRefs2="a24 a49" order="S"/>
                  <bond atomRefs2="a25 a69" order="S"/>
                  <bond atomRefs2="a25 a64" order="S"/>
                  <bond atomRefs2="a25 a63" order="S"/>
                  <bond atomRefs2="a25 a66" order="S"/>
                  <bond atomRefs2="a25 a49" order="S"/>
                  <bond atomRefs2="a25 a76" order="S"/>
                  <bond atomRefs2="a26 a78" order="S"/>
                  <bond atomRefs2="a26 a73" order="S"/>
                  <bond atomRefs2="a26 a75" order="S"/>
                  <bond atomRefs2="a26 a58" order="S"/>
                  <bond atomRefs2="a27 a56" order="S"/>
                  <bond atomRefs2="a27 a53" order="S"/>
                  <bond atomRefs2="a27 a55" order="S"/>
                  <bond atomRefs2="a27 a51" order="S"/>
                  <bond atomRefs2="a27 a43" 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 a64" order="S"/>
                  <bond atomRefs2="a29 a70" order="S"/>
                  <bond atomRefs2="a29 a67" order="S"/>
                  <bond atomRefs2="a29 a50" order="S"/>
                  <bond atomRefs2="a29 a77" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a47" order="S"/>
                  <bond atomRefs2="a30 a44" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a31 a60" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a57" order="S"/>
                  <bond atomRefs2="a32 a60" order="S"/>
                  <bond atomRefs2="a32 a74" order="S"/>
                  <bond atomRefs2="a32 a59" order="S"/>
                  <bond atomRefs2="a32 a54" order="S"/>
                  <bond atomRefs2="a32 a52" order="S"/>
                  <bond atomRefs2="a33 a78" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
                  <bond atomRefs2="a33 a71" order="S"/>
                  <bond atomRefs2="a33 a79" order="S"/>
                  <bond atomRefs2="a34 a48" order="S"/>
                  <bond atomRefs2="a34 a43" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a55" order="S"/>
                  <bond atomRefs2="a35 a58" order="S"/>
                  <bond atomRefs2="a35 a53" order="S"/>
                  <bond atomRefs2="a35 a55" order="S"/>
                  <bond atomRefs2="a36 a76" order="S"/>
                  <bond atomRefs2="a36 a73" order="S"/>
                  <bond atomRefs2="a36 a75" order="S"/>
                  <bond atomRefs2="a36 a71" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a36 a63" order="S"/>
                  <bond atomRefs2="a37 a75" order="S"/>
                  <bond atomRefs2="a37 a58" order="S"/>
                  <bond atomRefs2="a37 a51" order="S"/>
                  <bond atomRefs2="a37 a55" order="S"/>
                  <bond atomRefs2="a37 a48" order="S"/>
                  <bond atomRefs2="a38 a48" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a38 a41" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a38 a63" order="S"/>
                  <bond atomRefs2="a38 a51" order="S"/>
                  <bond atomRefs2="a39 a54" order="S"/>
                  <bond atomRefs2="a39 a57" order="S"/>
                  <bond atomRefs2="a39 a52" order="S"/>
                  <bond atomRefs2="a39 a56" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a40 a79" order="S"/>
                  <bond atomRefs2="a40 a80" order="S"/>
                  <bond atomRefs2="a40 a74" order="S"/>
                  <bond atomRefs2="a40 a72" 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">-19.0379 -18.7480 -18.5925 -18.5386 -18.3836 -18.2827 -18.2355 -18.2074 -18.1344 -18.0977 -18.0593 -18.0319 -17.9870 -17.9593 -17.9118 -17.8788 -17.8728 -17.8263 -17.8106 -17.7868 -17.7700 -17.7173 -17.7036 -17.6312 -17.5837 -17.5621 -17.5384 -17.5029 -17.4335 -17.4281 -17.4113 -17.3790 -17.3120 -17.2930 -17.2677 -17.1964 -17.1659 -17.1521 -17.1073 -16.9873 -7.0005 -6.8946 -6.8913 -6.8036 -6.6401 -6.6116 -6.5559 -6.4870 -6.4602 -6.4124 -6.3792 -6.3546 -6.3348 -6.3107 -6.2936 -6.2499 -6.2262 -6.2106 -6.1793 -6.1632 -6.1403 -6.1167 -6.0811 -6.0790 -6.0420 -6.0240 -6.0019 -5.9799 -5.9620 -5.9255 -5.9094 -5.8880 -5.8785 -5.8440 -5.8156 -5.8042 -5.7932 -5.7622 -5.7509 -5.7321 -5.7137 -5.6885 -5.6637 -5.6470 -5.6156 -5.5892 -5.5726 -5.5564 -5.5270 -5.5159 -5.4989 -5.4710 -5.4456 -5.4120 -5.3785 -5.3594 -5.3385 -5.3077 -5.2880 -5.2697 -5.2522 -5.2330 -5.1941 -5.1694 -5.1418 -5.1232 -5.0670 -5.0235 -4.9960 -4.9695 -4.9493 -4.8994 -4.8729 -4.8540 -4.8194 -4.8030 -4.7883 -4.7391 -4.6791 -4.6645 -4.6306 -4.6014 -4.5867 -4.5444 -4.5136 -4.4998 -4.4741 -4.4323 -4.4263 -4.3955 -4.3745 -4.3364 -4.3156 -4.2878 -4.2613 -4.2339 -4.2145 -4.1917 -4.1426 -4.1220 -4.0938 -4.0796 -4.0453 -4.0230 -3.9993 -3.9842 -3.9535 -3.9368 -3.8979 -3.8741 -3.8461 -3.8123 -3.7862 -3.7663 -3.7561 -3.7208 -3.6691 -3.6473 -3.6166 -3.6019 -3.5461 -3.5069 -3.4765 -3.4476 -3.4329 -3.3975 -3.3714 -3.3398 -3.3046 -3.2763 -3.2501 -3.2367 -3.1943 -3.1655 -3.1411 -3.0909 -3.0577 -3.0491 -2.9956 -2.9409 -2.9097 -2.8859 -2.8430 -2.8349 -2.7986 -2.7441 -2.7204 -2.6861 -2.6212 -2.5892 -2.5335 -2.5015 -2.4674 -2.4402 -2.3925 -2.3746 -2.3320 -2.1928 -2.1517 -2.1095 -2.0557 -2.0098 -1.9626 -1.9400 -1.9186 -1.8689 -1.8517 -1.8024 -1.7721 -1.7506 -1.7280 -1.7010 -1.6545 -1.6424 -1.6125 -1.5909 -1.5610 -1.5505 -1.5324 -1.5067 -1.4913 -1.4827 -1.4526 -1.4379 -1.4337 -1.4133 -1.3910 -1.3838 -1.3499 -1.3277 -1.3233 -1.3097 -1.2912 -1.2795 -1.2659 -1.2554 -1.2421 -1.2253 -1.2104 -1.1956 -1.1908 -1.1737 -1.1568 -1.1414 -1.1334 -1.1272 -1.1032 -1.0960 -1.0884 -1.0709 -1.0586 -1.0441 -1.0222 -1.0160 -1.0092 -0.9995 -0.9782 -0.9706 -0.9490 -0.9397 -0.9323 -0.9212 -0.9166 -0.9040 -0.8947 -0.8730 -0.8586 -0.8428 -0.8222 -0.7889 -0.7808 -0.7621 -0.7560 -0.7431 -0.7165 -0.7021 -0.6605 -0.6514 -0.6188 -0.6088 -0.5210 -0.4907 -0.4839 -0.4529 -0.3877 -0.3452 -0.3205 -0.3018 -0.2648 -0.2486 -0.2253 -0.1747 -0.1455 -0.0952 -0.0333 0.0223 0.1314 0.1654 0.1998 0.2202 0.2784 0.3800 0.5006 0.6182 0.6466 0.6755 0.7408 0.8156 0.8519 0.8676 2.2539 2.4673 3.7086 3.7362 3.8302 4.0112 4.0328 4.6469 4.6826 4.7050 4.8894 4.9548 5.0248 5.0846 5.2761 5.4198 5.4871 5.5905 5.6964 5.7596 5.8059 5.8224 5.9223 5.9844 6.0539 6.0992 6.1122 6.1877 6.2251 6.3871 6.5373 6.6459 6.7021 6.7392 6.7924 6.8675 6.9470 7.0029 7.0217 7.1668 7.2046 7.2538 7.3369 7.4103 7.5075 7.6098 7.6446 7.7446 7.7634 7.8736 7.9685 8.0563 8.1067 8.1335 -19.0388 -18.7402 -18.5997 -18.5453 -18.3801 -18.2813 -18.2304 -18.1972 -18.1434 -18.1029 -18.0532 -18.0388 -17.9986 -17.9381 -17.9165 -17.8907 -17.8693 -17.8329 -17.8060 -17.7782 -17.7503 -17.7308 -17.7085 -17.6353 -17.5907 -17.5756 -17.5016 -17.4921 -17.4641 -17.4470 -17.3970 -17.3742 -17.3037 -17.2920 -17.2705 -17.1956 -17.1663 -17.1473 -17.1171 -16.9851 -6.9993 -6.9114 -6.8888 -6.8059 -6.6483 -6.6143 -6.5585 -6.4656 -6.4451 -6.4099 -6.3897 -6.3596 -6.3290 -6.3108 -6.2786 -6.2491 -6.2337 -6.2093 -6.1848 -6.1682 -6.1357 -6.1234 -6.0820 -6.0690 -6.0304 -6.0204 -5.9916 -5.9810 -5.9595 -5.9258 -5.9087 -5.8815 -5.8603 -5.8430 -5.8376 -5.8135 -5.7904 -5.7635 -5.7362 -5.7279 -5.7070 -5.6905 -5.6637 -5.6496 -5.6182 -5.5977 -5.5754 -5.5590 -5.5197 -5.5135 -5.4788 -5.4671 -5.4387 -5.4245 -5.4049 -5.3674 -5.3503 -5.3289 -5.3041 -5.2855 -5.2573 -5.2307 -5.2040 -5.1563 -5.1444 -5.1128 -5.0692 -5.0289 -5.0226 -4.9639 -4.9442 -4.9025 -4.8745 -4.8528 -4.8195 -4.8012 -4.7452 -4.7362 -4.6813 -4.6700 -4.6456 -4.6123 -4.5922 -4.5586 -4.5299 -4.4889 -4.4522 -4.4301 -4.4226 -4.3922 -4.3594 -4.3289 -4.3017 -4.2764 -4.2553 -4.2233 -4.2069 -4.1680 -4.1558 -4.1169 -4.1033 -4.0807 -4.0713 -4.0252 -3.9943 -3.9658 -3.9557 -3.9290 -3.8881 -3.8712 -3.8416 -3.8288 -3.8035 -3.7645 -3.7501 -3.7052 -3.6578 -3.6414 -3.6305 -3.6075 -3.5607 -3.5416 -3.5235 -3.4854 -3.4738 -3.4099 -3.3856 -3.3411 -3.3107 -3.2851 -3.2388 -3.2043 -3.1688 -3.1301 -3.1080 -3.0500 -3.0248 -3.0120 -2.9783 -2.9612 -2.9400 -2.8969 -2.8840 -2.8290 -2.7814 -2.7744 -2.7052 -2.6607 -2.6352 -2.5707 -2.5195 -2.4956 -2.4779 -2.4335 -2.3888 -2.3492 -2.3007 -2.2048 -2.1323 -2.1025 -2.0567 -2.0324 -1.9776 -1.9553 -1.8964 -1.8726 -1.8537 -1.8048 -1.7773 -1.7507 -1.7207 -1.6996 -1.6814 -1.6671 -1.6340 -1.5980 -1.5858 -1.5639 -1.5553 -1.5328 -1.5114 -1.4910 -1.4708 -1.4535 -1.4212 -1.4061 -1.3859 -1.3668 -1.3463 -1.3347 -1.3256 -1.3007 -1.2943 -1.2870 -1.2572 -1.2520 -1.2251 -1.2176 -1.2025 -1.1938 -1.1759 -1.1721 -1.1574 -1.1384 -1.1234 -1.1167 -1.0971 -1.0812 -1.0707 -1.0686 -1.0555 -1.0508 -1.0329 -1.0163 -1.0068 -0.9997 -0.9899 -0.9699 -0.9623 -0.9424 -0.9327 -0.9245 -0.9098 -0.8995 -0.8834 -0.8742 -0.8673 -0.8615 -0.8383 -0.8149 -0.7899 -0.7737 -0.7497 -0.7311 -0.7051 -0.6915 -0.6618 -0.6395 -0.6249 -0.6098 -0.5266 -0.4965 -0.4747 -0.4406 -0.3796 -0.3428 -0.3129 -0.2843 -0.2679 -0.2387 -0.2131 -0.1570 -0.1337 -0.1002 -0.0234 0.0060 0.1309 0.1631 0.1923 0.2266 0.2665 0.3715 0.4976 0.6271 0.6484 0.6655 0.7379 0.8126 0.8538 0.8701 2.2533 2.4669 3.7087 3.7431 3.8305 4.0135 4.0240 4.6415 4.6910 4.7461 4.8275 4.9467 5.0188 5.1104 5.2848 5.3864 5.4909 5.6103 5.6740 5.7510 5.8252 5.8533 5.9168 5.9646 6.0478 6.0945 6.1245 6.1938 6.2464 6.4686 6.5312 6.6007 6.6772 6.7562 6.7987 6.8719 6.9280 6.9400 7.0380 7.1431 7.2098 7.2457 7.3555 7.4024 7.4569 7.5778 7.6329 7.7354 7.8098 7.9121 8.0138 8.0833 8.0966 8.1273</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 1.00000 0.57430 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.65433 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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">-18.9086 -18.5923 -18.4991 -18.4197 -18.2595 -18.1915 -18.1395 -18.0647 -17.9953 -17.9723 -17.9333 -17.8974 -17.8562 -17.8137 -17.7852 -17.7389 -17.7230 -17.6838 -17.6727 -17.6589 -17.6350 -17.6171 -17.5777 -17.5093 -17.4944 -17.4568 -17.4195 -17.3963 -17.3611 -17.3203 -17.3110 -17.2779 -17.1870 -17.1852 -17.1821 -17.1307 -17.1090 -17.0595 -17.0514 -16.9203 -6.9378 -6.8395 -6.7867 -6.7032 -6.6065 -6.5717 -6.5057 -6.4118 -6.3809 -6.3361 -6.3151 -6.2820 -6.2714 -6.2394 -6.2371 -6.1919 -6.1643 -6.1471 -6.1122 -6.0949 -6.0801 -6.0561 -6.0246 -6.0169 -5.9818 -5.9638 -5.9473 -5.9297 -5.9106 -5.8724 -5.8613 -5.8413 -5.8284 -5.7987 -5.7692 -5.7581 -5.7276 -5.7138 -5.7008 -5.6674 -5.6563 -5.6410 -5.6030 -5.5946 -5.5738 -5.5386 -5.5103 -5.5030 -5.4752 -5.4474 -5.4165 -5.4000 -5.3758 -5.3445 -5.2999 -5.2834 -5.2706 -5.2204 -5.1977 -5.1722 -5.1555 -5.1137 -5.0744 -5.0683 -5.0514 -5.0251 -4.9627 -4.9383 -4.9047 -4.8789 -4.8422 -4.8176 -4.7908 -4.7349 -4.7028 -4.6837 -4.6367 -4.5907 -4.5640 -4.5118 -4.5013 -4.4783 -4.4334 -4.4022 -4.3528 -4.3418 -4.2994 -4.2825 -4.2324 -4.1999 -4.1604 -4.1360 -4.1075 -4.0794 -4.0521 -4.0307 -3.9960 -3.9476 -3.9222 -3.9001 -3.8859 -3.8547 -3.8304 -3.7921 -3.7854 -3.7508 -3.7056 -3.6875 -3.6423 -3.6117 -3.5993 -3.5787 -3.5459 -3.5421 -3.5001 -3.4879 -3.4500 -3.4336 -3.3972 -3.3499 -3.3442 -3.2964 -3.2681 -3.2228 -3.2029 -3.1799 -3.1649 -3.1426 -3.1071 -3.0835 -3.0633 -3.0102 -2.9934 -2.9753 -2.9414 -2.9161 -2.8941 -2.8413 -2.8363 -2.8084 -2.7624 -2.7280 -2.6809 -2.5986 -2.5940 -2.5732 -2.5294 -2.5070 -2.4623 -2.4328 -2.3688 -2.3265 -2.3081 -2.2875 -2.2401 -2.1614 -2.1503 -2.0491 -2.0010 -1.9364 -1.9012 -1.8638 -1.8177 -1.8036 -1.7484 -1.7061 -1.6755 -1.6547 -1.6328 -1.6028 -1.5630 -1.5363 -1.4879 -1.4807 -1.4398 -1.3958 -1.3691 -1.3482 -1.3405 -1.3216 -1.3067 -1.2863 -1.2662 -1.2547 -1.2297 -1.2177 -1.1827 -1.1665 -1.1548 -1.1334 -1.1063 -1.0607 -1.0345 -1.0151 -0.9799 -0.9238 -0.8964 -0.8640 -0.8478 -0.8314 -0.8247 -0.7848 -0.7710 -0.7552 -0.7171 -0.6547 -0.6361 -0.6087 -0.5925 -0.5811 -0.5556 -0.5432 -0.5264 -0.4935 -0.4814 -0.4614 -0.4422 -0.4315 -0.4262 -0.4147 -0.3958 -0.3881 -0.3777 -0.3568 -0.3242 -0.3061 -0.2979 -0.2711 -0.2581 -0.2471 -0.2303 -0.2188 -0.1898 -0.1620 -0.1466 -0.1295 -0.1138 -0.1063 -0.0660 -0.0383 -0.0148 0.0148 0.0301 0.1096 0.1666 0.2421 0.3441 0.5060 0.5365 0.7457 0.7786 0.8360 0.8522 0.8642 0.9274 1.0037 1.1951 1.2331 1.2809 1.3055 1.3541 1.4384 1.5181 1.5401 1.5511 1.5721 1.6550 1.6831 1.7406 1.8918 2.3671 2.5578 3.8055 3.8391 3.8899 4.1014 4.2052 4.7161 4.7591 4.7632 4.9462 5.0169 5.0798 5.1400 5.3678 5.4850 5.5396 5.6442 5.7657 5.8717 5.9114 5.9628 6.0218 6.0568 6.1038 6.1170 6.1590 6.2391 6.2910 6.4729 6.6122 6.6976 6.7482 6.7861 6.8379 6.9129 7.0109 7.0460 7.0886 7.1650 7.2351 7.3390 7.3966 7.4482 7.5786 7.6404 7.7028 7.7872 7.8327 7.9352 7.9896 8.0655 8.1569 8.1999 -18.9088 -18.5913 -18.4854 -18.4435 -18.2517 -18.1843 -18.1167 -18.0885 -18.0145 -17.9615 -17.9469 -17.8916 -17.8406 -17.8081 -17.7896 -17.7410 -17.7234 -17.6957 -17.6710 -17.6458 -17.6402 -17.6110 -17.5800 -17.5196 -17.4942 -17.4647 -17.4010 -17.3768 -17.3686 -17.3498 -17.3003 -17.2764 -17.2048 -17.1912 -17.1580 -17.1303 -17.0905 -17.0692 -17.0627 -16.9182 -6.9358 -6.8501 -6.7908 -6.7045 -6.6153 -6.5731 -6.5060 -6.3937 -6.3673 -6.3548 -6.3143 -6.2953 -6.2612 -6.2369 -6.2114 -6.1812 -6.1764 -6.1482 -6.1260 -6.1030 -6.0693 -6.0460 -6.0321 -5.9951 -5.9760 -5.9642 -5.9446 -5.9251 -5.9024 -5.8763 -5.8496 -5.8284 -5.8120 -5.8074 -5.7878 -5.7514 -5.7359 -5.7194 -5.7078 -5.6842 -5.6558 -5.6190 -5.5958 -5.5882 -5.5571 -5.5362 -5.5245 -5.4907 -5.4647 -5.4474 -5.4270 -5.4067 -5.3781 -5.3551 -5.3249 -5.3062 -5.2795 -5.2584 -5.2040 -5.1960 -5.1820 -5.1507 -5.0809 -5.0712 -5.0493 -5.0122 -4.9861 -4.9276 -4.8899 -4.8483 -4.8227 -4.7905 -4.7743 -4.7598 -4.6814 -4.6606 -4.6071 -4.5877 -4.5652 -4.5450 -4.5011 -4.4670 -4.4326 -4.3826 -4.3515 -4.3420 -4.3022 -4.2655 -4.2446 -4.2004 -4.1517 -4.1307 -4.1084 -4.0931 -4.0307 -4.0093 -3.9957 -3.9647 -3.9331 -3.9107 -3.8778 -3.8433 -3.8338 -3.8149 -3.7682 -3.7570 -3.7167 -3.6861 -3.6695 -3.6257 -3.5924 -3.5690 -3.5455 -3.5229 -3.5007 -3.4842 -3.4265 -3.4173 -3.3899 -3.3534 -3.3463 -3.3190 -3.2872 -3.2512 -3.2294 -3.2037 -3.1906 -3.1694 -3.1001 -3.0883 -3.0629 -3.0275 -2.9750 -2.9548 -2.9240 -2.8931 -2.8598 -2.8450 -2.8250 -2.7871 -2.7550 -2.7236 -2.6563 -2.6371 -2.6039 -2.5810 -2.5358 -2.4938 -2.4717 -2.4179 -2.3846 -2.3451 -2.3007 -2.2718 -2.2329 -2.1642 -2.1380 -2.0592 -2.0012 -1.9196 -1.8913 -1.8726 -1.8211 -1.7963 -1.7193 -1.6974 -1.6757 -1.6573 -1.6388 -1.6123 -1.5872 -1.5337 -1.5228 -1.4933 -1.4673 -1.4266 -1.3610 -1.3456 -1.3384 -1.3194 -1.2965 -1.2690 -1.2497 -1.2360 -1.2231 -1.1883 -1.1724 -1.1594 -1.1467 -1.1295 -1.0948 -1.0508 -1.0292 -1.0129 -0.9869 -0.9614 -0.9022 -0.8710 -0.8570 -0.8414 -0.8213 -0.7807 -0.7651 -0.7369 -0.7244 -0.6695 -0.6372 -0.6147 -0.5910 -0.5727 -0.5567 -0.5313 -0.5277 -0.5095 -0.4982 -0.4845 -0.4571 -0.4462 -0.4305 -0.4185 -0.3945 -0.3890 -0.3652 -0.3378 -0.3281 -0.3129 -0.2888 -0.2705 -0.2597 -0.2520 -0.2375 -0.2124 -0.1875 -0.1606 -0.1480 -0.1345 -0.1251 -0.0971 -0.0595 -0.0325 -0.0270 0.0169 0.0331 0.1017 0.1689 0.2416 0.3568 0.5092 0.5396 0.7477 0.7803 0.8355 0.8630 0.8707 0.9296 1.0188 1.1918 1.2307 1.2780 1.3032 1.3577 1.4356 1.5203 1.5375 1.5547 1.5877 1.6622 1.6824 1.7127 1.8895 2.3668 2.5558 3.8140 3.8606 3.8957 4.0823 4.1730 4.7086 4.7720 4.8093 4.9035 4.9781 5.1010 5.1815 5.3990 5.4523 5.5410 5.6756 5.7390 5.8400 5.8925 5.9514 6.0034 6.0427 6.0896 6.1278 6.1760 6.2802 6.3219 6.5259 6.5911 6.6602 6.7505 6.7988 6.8415 6.9324 6.9849 7.0239 7.0950 7.1736 7.2393 7.3031 7.4053 7.4576 7.5172 7.6132 7.6668 7.7896 7.8719 7.9703 8.0199 8.1003 8.1477 8.1964</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 0.42151 0.00931 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.33548 0.00506 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="17"
                          units="nonsi2:ev.angstrom-1">0.063368 0.062371 -0.129314 -0.138661 -0.014309 0.045193 0.128872 0.091454 -0.308367 -0.082143 -0.050061 -0.063465 0.032984 0.055551 -0.109837 0.145416 -0.027666 -0.371041 -0.174333 -0.090853 -0.027419 -0.010934 0.111390 -0.059958 -0.050091 0.031579 0.125489 -0.010267 0.036194 0.167721 0.005978 0.008802 -0.180579 -0.206775 0.146860 -0.374205 0.321122 0.055123 -0.003961 -0.167542 0.010471 -0.101101 -0.043923 0.111380 -0.030367 -0.117023 -0.146792 -0.244857 -0.124298 -0.213274 0.167102 -0.098326 -0.241452 -0.290294 0.203693 0.057414 -0.408689 -0.025733 -0.100430 0.043581 -0.097254 0.184868 -0.744112 0.043589 -0.081968 -0.513964 0.020461 -0.030668 -0.143293 -0.015753 0.012503 0.023209 -0.001460 0.033228 0.040081 0.048954 -0.018046 -0.801743 0.022284 -0.061766 -0.115918 0.140719 -0.036479 0.200484 -0.048951 0.028114 0.486304 0.115533 0.034003 0.111441 0.163888 -0.108823 0.065895 0.036753 -0.037534 -0.044306 -0.160729 -0.165770 -0.220001 0.083182 0.028492 -0.259693 -0.084467 0.036647 -0.284253 0.179096 0.072456 -0.283125 0.092320 0.140938 -0.281822 -0.021026 0.021315 -0.202054 -0.084602 0.045609 -0.051885 0.019733 0.038096 0.056319 -0.330368 -0.248547 1.290811 0.292387 -0.050135 -0.233330 -0.542106 -0.382407 0.584303 0.067896 0.052330 -0.147229 0.107245 -0.119667 0.067365 0.087721 0.066765 -0.535181 0.274399 -0.023950 0.463874 0.022539 0.400372 -0.329822 -0.580858 -0.439594 0.328780 -0.031861 -0.226073 0.143915 0.307310 -0.136328 0.349091 -0.308765 0.443130 0.157192 0.533959 0.414600 0.526994 -0.075734 0.072254 -0.373344 -0.104223 0.093412 -0.304340 -0.084388 0.136616 -0.032119 -0.206357 -0.012561 0.546514 -0.044983 -0.035158 -0.021461 0.561691 -0.011026 -0.294955 0.025251 0.313168 0.594857 0.591645 0.020609 0.174763 0.387927 0.036347 0.001048 -0.397378 0.417058 -0.115023 0.511784 -0.054993 -0.689289 0.377160 0.178107 0.091982 -0.523525 0.086426 -0.164713 -0.247882 0.057123 0.115011 -0.138276 -0.380908 -0.009725 -0.409724 0.437457 0.049645 0.015293 0.281160 -0.024727 -0.427667 0.138490 0.735091 -0.400288 -0.410731 0.225509 0.411221 -0.466824 1.267444 -0.550937 -0.071529 0.118620 -0.370466 -0.124214 -0.179751 0.411992 -0.191507 0.500554 0.219241 0.017140 0.040146 0.094419 0.013316 -0.426714 0.376317 0.027483 0.115799 -0.005264 -0.346178 0.509220 -0.029284 0.017999 -0.057889 -0.089326 0.012421 0.079905 0.062640 0.018473 -0.117381 -0.014536 -0.023220 -0.104512 0.013020 0.043711 -0.110092 0.099122 -0.007238 -0.178095 -0.079309 -0.063558 0.026811 -0.008902 0.093388 -0.085605 -0.049858 0.032528 0.108454 0.007760 0.030097 0.112229 0.009351 0.013352 -0.208566 -0.101259 0.082067 -0.149329 0.293183 0.063521 0.024140 -0.062980 0.026304 -0.048760 -0.025009 0.065095 -0.027875 -0.076227 -0.082637 -0.095775 -0.125850 -0.214161 0.176161 -0.120220 -0.214216 -0.270077 0.106980 0.030393 -0.225450 -0.005578 -0.060277 -0.020936 -0.098007 0.187780 -0.733901 0.044830 -0.084201 -0.534531 -0.014708 -0.042180 -0.037630 -0.014579 0.016045 0.042857 -0.053292 0.037684 -0.025592 0.047710 -0.015016 -0.798490 0.025605 -0.063938 -0.133778 0.116834 -0.007588 0.027628 -0.023484 0.037198 0.330353 0.124096 0.006555 0.020618 0.085200 -0.047790 0.090810 0.019767 -0.009870 0.000530 -0.137949 -0.174069 -0.209078 0.083920 0.026307 -0.265353 -0.084621 0.033736 -0.288282 0.184019 0.069808 -0.237368 0.094180 0.142204 -0.288372 -0.007974 0.025794 -0.163986 -0.091438 0.004690 0.046358 0.006546 0.002109 0.067062 -0.299100 -0.227997 1.257711 0.106134 -0.036286 -0.166002 -0.527063 -0.359547 0.544209 0.084696 0.031737 -0.079297 0.108110 -0.114570 0.084837 0.038093 0.076926 -0.420367 0.125827 -0.010500 0.330268 0.021651 0.400373 -0.326723 -0.506799 -0.324202 0.160757 -0.052854 -0.099189 0.096755 0.279348 -0.100530 0.383862 -0.128539 0.222275 0.062314 0.517009 0.399872 0.506937 -0.097214 0.053772 -0.156883 -0.104892 0.092044 -0.295205 -0.036762 0.139619 -0.003361 -0.064489 -0.011117 0.258344 -0.042926 -0.036842 -0.019233 0.473362 -0.032709 -0.138427 0.057808 0.128448 0.266065 0.581093 0.015628 0.107493 0.164964 0.031083 0.011031 -0.368286 0.400249 0.001158 0.388513 -0.038561 -0.419504 0.377160 0.169099 0.093414 -0.332392 0.054861 -0.025875 -0.112103 0.031557 -0.000103 -0.133846 -0.379853 -0.007128 -0.214891 0.325861 -0.012869 -0.022578 0.145984 -0.032696 -0.422485 0.100319 0.764250 -0.169161 -0.186813 0.088736 0.357964 -0.449479 1.217066 -0.428158 -0.055781 0.078225 -0.370255 -0.122615 -0.181507 0.255333 -0.160932 0.279854 0.068135 0.016324 0.016148 0.090274 0.014927 -0.429127 0.205189 0.044720 0.137838 0.023760 -0.157453 0.229823 -0.159452 -0.044197 0.031657 -0.010706 0.050614 0.120922 -0.018634 -0.085509 0.140194 0.069159 0.012880 -0.166040 -0.020036 0.012310 -0.113681 0.040417 0.017498 0.057148 0.053099 -0.012510 0.084739 -0.006456 0.073472 -0.137462 -0.049579 0.032835 0.093038 0.024817 0.018197 0.040157 0.014998 0.017884 -0.249950 0.026749 -0.003927 0.156578 0.259848 0.073197 0.059451 0.084571 0.046489 0.012718 0.004562 0.008112 -0.025910 -0.018176 0.003792 0.112555 -0.128346 -0.215332 0.187123 -0.146476 -0.182382 -0.250308 -0.018715 0.000629 0.006587 0.019433 -0.004877 -0.109705 -0.099278 0.190833 -0.725794 0.045199 -0.087070 -0.559813 -0.054406 -0.055492 0.080894 -0.013482 0.020652 0.063934 -0.116261 0.040186 -0.152558 0.045776 -0.011816 -0.795760 0.029379 -0.068274 -0.154877 0.095033 0.027903 -0.165648 0.001781 0.046082 0.198301 0.132493 -0.028300 -0.070622 -0.000925 0.019114 0.133307 0.008077 0.024385 0.036185 -0.112679 -0.182682 -0.195242 0.083700 0.023863 -0.272059 -0.084967 0.030483 -0.292236 0.187651 0.067818 -0.196190 0.095541 0.144210 -0.296385 0.004330 0.031220 -0.121633 -0.099381 -0.044002 0.148987 -0.004081 -0.040537 0.076595 -0.258394 -0.199575 1.223437 -0.099019 -0.022348 -0.081867 -0.511709 -0.331257 0.500534 0.112238 0.011161 0.005555 0.108045 -0.113449 0.110058 -0.014513 0.097153 -0.313794 -0.055644 0.006091 0.186053 0.025990 0.399735 -0.322185 -0.420874 -0.182402 -0.048237 -0.075826 0.045921 0.031274 0.248308 -0.059512 0.432718 0.062966 -0.012124 -0.079636 0.498767 0.381380 0.485487 -0.118723 0.027798 0.085172 -0.106280 0.088740 -0.277798 0.011513 0.151561 0.024558 0.095055 -0.009944 -0.065317 -0.047611 -0.039499 -0.014004 0.383553 -0.053553 0.055726 0.098224 -0.071287 -0.095444 0.566502 0.006568 0.032972 -0.090897 0.029010 0.006536 -0.338660 0.381677 0.129365 0.272849 -0.021581 -0.115821 0.377243 0.162957 0.097117 -0.101440 0.011833 0.129351 0.053638 -0.000243 -0.135272 -0.130886 -0.377751 -0.003085 -0.000030 0.213752 -0.084404 -0.074593 -0.026584 -0.036383 -0.417133 0.058182 0.794032 0.092351 0.043027 -0.084505 0.290363 -0.427746 1.164678 -0.337247 -0.043032 0.004846 -0.372595 -0.119773 -0.181084 0.071244 -0.136185 0.022309 -0.110515 0.011588 -0.030005 0.085797 0.017207 -0.430217 0.012061 0.065934 0.162858 0.051305 0.068818 -0.074776 -0.193042 -0.061449 0.051150 0.007739 0.060084 0.130357 -0.037993 -0.110196 0.200052 0.084047 0.021587 -0.180652 -0.029053 0.004603 -0.112517 0.022595 0.021381 0.115502 0.083816 0.000021 0.094829 -0.005691 0.069986 -0.152979 -0.048934 0.033176 0.090146 0.027385 0.014480 0.019841 0.015562 0.018848 -0.259787 0.055973 -0.021774 0.231783 0.254006 0.075636 0.066677 0.118944 0.050360 0.025314 0.010776 -0.002609 -0.024842 -0.004836 0.022496 0.163043 -0.128605 -0.215278 0.189792 -0.151685 -0.175439 -0.246888 -0.046301 -0.005912 0.059667 0.025732 0.006923 -0.129798 -0.099340 0.191810 -0.724034 0.045544 -0.086982 -0.564671 -0.062010 -0.058164 0.101734 -0.012712 0.021975 0.067562 -0.129640 0.040882 -0.189016 0.045557 -0.010748 -0.795304 0.030582 -0.068958 -0.158958 0.091445 0.035459 -0.205500 0.007004 0.048344 0.177404 0.133871 -0.035245 -0.088290 -0.017525 0.031472 0.145228 0.006401 0.032940 0.042273 -0.107793 -0.183787 -0.192456 0.084464 0.023709 -0.273401 -0.085377 0.030168 -0.292723 0.188310 0.067914 -0.188980 0.096045 0.144714 -0.297398 0.007280 0.032874 -0.112788 -0.099967 -0.054205 0.169280 -0.005099 -0.049212 0.077106 -0.248576 -0.192128 1.214909 -0.147005 -0.021280 -0.062506 -0.507191 -0.324373 0.491649 0.119548 0.005274 0.028839 0.108142 -0.113330 0.116260 -0.029254 0.100452 -0.289780 -0.097021 0.009459 0.156501 0.027914 0.399348 -0.321115 -0.392649 -0.150196 -0.091516 -0.077294 0.075977 0.014913 0.241806 -0.046472 0.444204 0.104927 -0.061580 -0.116662 0.494129 0.377554 0.480557 -0.123242 0.022413 0.136277 -0.106474 0.089696 -0.275224 0.023172 0.153111 0.034620 0.126598 -0.012394 -0.134696 -0.049264 -0.039622 -0.012599 0.363800 -0.058508 0.101473 0.106384 -0.114291 -0.177234 0.563310 0.004376 0.016653 -0.149866 0.025465 -0.002021 -0.332513 0.378284 0.156195 0.249011 -0.013935 -0.053084 0.376820 0.162705 0.097994 -0.045710 0.000516 0.168841 0.089399 -0.006380 -0.165001 -0.132203 -0.376067 -0.002061 0.054040 0.183921 -0.103628 -0.083613 -0.060092 -0.035521 -0.415135 0.046043 0.801516 0.152263 0.089097 -0.130543 0.274820 -0.422223 1.153962 -0.326545 -0.039613 -0.014508 -0.372452 -0.119752 -0.181353 0.029992 -0.127886 -0.030658 -0.151815 0.011609 -0.039745 0.087031 0.018067 -0.430088 -0.039046 0.066790 0.168060 0.056285 0.118077 -0.141638 -0.111203 0.005856 0.049446 0.027718 0.000512 0.001438 0.003877 -0.039303 0.113591 0.008432 0.018447 0.030734 -0.041595 -0.039849 -0.032266 -0.016659 0.049151 0.091437 0.000758 0.022841 0.122749 0.008173 0.067141 -0.253924 -0.045589 0.032851 0.071933 0.004364 0.040389 -0.030879 -0.000455 0.027105 -0.253473 0.043747 -0.035410 0.129038 0.269665 0.100966 0.031718 0.023989 0.024545 0.039136 -0.026630 0.027744 -0.011651 0.012910 0.036647 0.095104 -0.127865 -0.216645 0.184517 -0.164711 -0.168511 -0.268231 -0.042473 -0.038038 0.048769 0.018488 0.000643 -0.070729 -0.098823 0.192954 -0.720732 0.045421 -0.088157 -0.566735 -0.017176 -0.021012 0.055693 -0.007490 0.002296 0.050718 -0.050912 -0.007733 -0.123623 0.044507 -0.011430 -0.804894 0.012663 -0.080038 -0.128521 0.049097 0.006718 -0.137665 -0.023506 0.029626 0.112058 0.016270 -0.011040 -0.039040 0.022923 0.019941 0.074888 0.001342 -0.028938 0.019425 -0.125034 -0.190456 -0.171632 0.087282 0.022649 -0.270464 -0.087392 0.029986 -0.302097 0.200830 0.070747 -0.172330 0.096404 0.145464 -0.301238 0.039136 0.012100 -0.113086 0.029510 -0.028234 0.083244 0.010960 0.010656 0.078783 -0.251427 -0.141534 1.189015 -0.069063 -0.026231 -0.042791 -0.501985 -0.320283 0.461647 0.032732 -0.016736 0.001812 0.104592 -0.119223 0.131031 -0.040590 0.018336 -0.180845 -0.048089 0.005606 0.116335 0.030880 0.399632 -0.317096 -0.311290 -0.091768 -0.094328 0.005927 0.071277 0.011520 0.245004 -0.010931 0.504404 0.059284 -0.049485 -0.035305 0.489060 0.370568 0.436817 -0.045766 0.011953 0.093559 -0.102940 0.094940 -0.273618 0.003884 0.166720 0.020704 0.075602 -0.000094 -0.077776 -0.052305 -0.043015 -0.008781 0.281802 -0.015210 0.019141 0.031151 -0.064042 -0.114983 0.551414 -0.041995 0.023630 -0.056632 0.038997 -0.025256 -0.360882 0.384125 0.184803 0.207655 0.021593 -0.033873 0.376161 0.162517 0.103436 0.046893 0.038596 0.136200 0.094037 -0.018678 -0.192718 -0.133788 -0.377498 -0.000417 0.064013 0.103979 -0.058022 -0.003951 -0.063606 -0.029101 -0.404642 0.012180 0.837721 0.070771 0.067539 -0.048319 0.295213 -0.411282 1.175267 -0.265807 -0.013498 0.056763 -0.372767 -0.126757 -0.184454 -0.023240 -0.133986 -0.049481 -0.140440 0.000412 0.038746 0.088528 0.020381 -0.428049 -0.077361 0.042112 0.045070 0.017412 0.061204 -0.103615 -0.018047 0.105791 0.035949 0.041166 -0.086373 -0.186788 0.054466 0.039127 0.007402 -0.076215 0.018028 0.284943 -0.054224 -0.106353 0.081371 -0.070506 0.080626 0.066109 -0.097896 0.047992 0.131103 0.025564 0.067045 -0.407446 -0.041780 0.033486 0.050477 -0.029683 0.072449 -0.090193 -0.015604 0.039188 -0.243470 0.030273 -0.050745 0.015959 0.288778 0.129319 -0.009895 -0.101367 -0.005366 0.060666 -0.074468 0.057497 0.006480 0.038606 0.053640 0.015115 -0.127093 -0.218135 0.180281 -0.180737 -0.161488 -0.291536 -0.041005 -0.069872 0.035909 0.010065 -0.012665 -0.000807 -0.098343 0.195394 -0.718723 0.044768 -0.089226 -0.571080 0.038178 0.016916 -0.001900 -0.000017 -0.016939 0.031162 0.047240 -0.061884 -0.038185 0.043331 -0.011596 -0.815738 -0.009547 -0.090857 -0.089208 0.007283 -0.027660 -0.042498 -0.066669 0.008901 0.029851 -0.121559 0.018143 0.022472 0.072807 0.004615 -0.011977 -0.004767 -0.099815 -0.009375 -0.145374 -0.197976 -0.147879 0.089780 0.022708 -0.266508 -0.089808 0.031084 -0.311760 0.214827 0.074491 -0.149705 0.096172 0.147925 -0.304880 0.073021 -0.010088 -0.109046 0.199020 0.005840 -0.022078 0.034608 0.080702 0.075504 -0.254874 -0.077988 1.151149 0.019981 -0.031432 -0.014729 -0.498823 -0.314209 0.435017 -0.072253 -0.037819 -0.014122 0.099597 -0.123823 0.151888 -0.048079 -0.073249 -0.031688 -0.002782 0.001494 0.063320 0.033439 0.398425 -0.311882 -0.151058 -0.019873 -0.096684 0.112585 0.063256 0.002299 0.247736 0.018125 0.573703 0.002848 -0.032159 0.060553 0.485499 0.362872 0.379643 0.039099 0.006262 0.047724 -0.099559 0.102095 -0.263682 -0.022507 0.186323 -0.009782 0.023926 0.016934 -0.011137 -0.055867 -0.046885 -0.003404 0.134720 0.037935 -0.073735 -0.062745 -0.017141 -0.043996 0.536398 -0.097643 0.031569 0.050638 0.050224 -0.055576 -0.391275 0.392592 0.209012 0.130187 0.058789 0.013290 0.374092 0.161835 0.109919 0.183971 0.077580 0.080833 0.091942 -0.032023 -0.211290 -0.138147 -0.375533 0.002854 0.073309 -0.003948 -0.000770 0.095733 -0.071146 -0.022066 -0.392630 -0.014122 0.882599 -0.021247 0.035630 0.044930 0.310733 -0.395992 1.202723 -0.177363 0.021622 0.142059 -0.372763 -0.134264 -0.185301 -0.077695 -0.136430 -0.074670 -0.127981 -0.011155 0.136863 0.092118 0.024648 -0.423556 -0.118693 0.008316 -0.107710 -0.037455 -0.011993 -0.056242 0.015837 0.008552 0.050124 -0.038652 0.012829 0.000984 -0.019641 0.019818 -0.041270 -0.055808 0.032678 0.090586 0.017339 -0.045083 0.001151 0.000364 0.051203 -0.020910 -0.020616 0.029080 0.047437 0.008091 0.057484 -0.477661 -0.039776 0.034705 0.035296 -0.001421 0.016396 -0.032288 -0.014254 0.027145 -0.255329 0.001104 -0.001471 -0.005075 0.287555 0.143550 -0.006968 -0.004440 -0.014727 0.039884 -0.008097 0.036910 -0.001849 -0.006501 0.001419 -0.014896 -0.126796 -0.218985 0.180230 -0.183365 -0.158217 -0.274924 0.022677 -0.035503 0.003232 0.017911 0.023140 0.036477 -0.096934 0.197841 -0.711196 0.045469 -0.090320 -0.565116 -0.004307 0.048956 -0.025163 -0.007373 -0.019964 -0.011058 0.061869 -0.028848 0.015728 0.044468 -0.011880 -0.824341 -0.004214 -0.097186 -0.079739 0.009193 -0.005884 -0.005370 -0.009571 -0.000517 -0.012370 -0.026399 -0.003141 0.035934 0.029507 0.011646 0.028705 -0.003054 0.011961 -0.002818 -0.143902 -0.178505 -0.168205 0.091219 0.023839 -0.264018 -0.090507 0.032300 -0.303355 0.218100 0.073969 -0.171948 0.097278 0.148894 -0.306767 0.085330 -0.015754 -0.129439 -0.003613 -0.004295 -0.017928 0.036266 -0.003150 0.020259 -0.264443 -0.048687 1.157549 0.008282 -0.033023 0.013758 -0.495507 -0.309672 0.430997 -0.050713 0.013362 -0.026637 0.101126 -0.120619 0.160866 -0.073489 -0.079933 0.029288 -0.005087 0.001627 0.083961 0.032220 0.397773 -0.309052 -0.047412 0.018985 -0.024967 0.011794 0.026331 -0.009475 0.250129 0.028896 0.604841 -0.009344 -0.030931 0.018760 0.475648 0.360796 0.424121 0.083999 -0.012606 0.039091 -0.099911 0.103457 -0.261992 -0.003428 0.173423 0.005238 0.006118 0.009029 0.012923 -0.055195 -0.044863 -0.005295 -0.024679 0.037380 0.018149 -0.023420 0.000292 -0.008298 0.531125 -0.127413 0.037130 0.002302 0.033701 -0.011797 -0.398680 0.393093 0.200978 0.072254 -0.001374 -0.029809 0.375481 0.156574 0.113195 0.046776 0.047019 0.046574 0.063395 -0.009730 -0.164113 -0.132972 -0.374519 0.004397 0.089190 0.004147 0.007374 0.003284 -0.025369 0.019627 -0.392387 -0.017784 0.897264 0.021397 -0.004811 0.000898 0.320285 -0.389960 1.247406 -0.062115 0.006458 0.034813 -0.373719 -0.134882 -0.184513 -0.044026 -0.139996 -0.072669 -0.068182 -0.006227 0.087697 0.088493 0.023614 -0.424383 -0.134451 -0.028478 -0.021450 -0.004477 -0.005963 0.001531 0.022771 -0.012858 0.056417 -0.064259 0.035133 0.049038 -0.036390 0.015097 -0.051164 -0.050737 0.036529 0.043759 0.038621 -0.031626 -0.018703 0.017933 0.043550 -0.041912 -0.001977 0.022451 0.030978 0.003713 0.055372 -0.495340 -0.039616 0.034980 0.031701 0.004627 0.001428 -0.019124 -0.013041 0.024534 -0.257989 -0.006010 0.010349 -0.010819 0.285880 0.147066 -0.006293 0.017081 -0.017322 0.036133 0.004583 0.032965 -0.002855 -0.017591 -0.010631 -0.021956 -0.126829 -0.219187 0.180293 -0.184090 -0.157649 -0.271116 0.037361 -0.027946 -0.004256 0.020371 0.031722 0.046091 -0.096800 0.198404 -0.709581 0.045495 -0.090550 -0.563547 -0.014783 0.056674 -0.030301 -0.009289 -0.020157 -0.020078 0.065052 -0.021497 0.028679 0.044588 -0.011962 -0.825820 -0.003348 -0.098417 -0.077860 0.009707 -0.000906 0.003949 0.004389 -0.002612 -0.023549 -0.004250 -0.008690 0.039242 0.020412 0.012665 0.038838 -0.003317 0.039954 -0.001841 -0.143112 -0.174019 -0.172990 0.091087 0.024213 -0.263110 -0.090532 0.032693 -0.301368 0.218746 0.073715 -0.177407 0.097352 0.149317 -0.307585 0.087319 -0.017110 -0.133934 -0.050996 -0.006631 -0.015493 0.037299 -0.023459 0.007801 -0.267066 -0.042889 1.160054 0.005855 -0.033345 0.020382 -0.495285 -0.309035 0.429144 -0.046330 0.025790 -0.035293 0.101114 -0.120399 0.163536 -0.080674 -0.082802 0.041363 -0.006089 0.001533 0.093301 0.032399 0.397477 -0.308281 -0.018399 0.027357 -0.009844 -0.011920 0.020680 -0.012099 0.250476 0.027295 0.612444 -0.012156 -0.030783 0.009558 0.473730 0.360370 0.434668 0.093392 -0.019877 0.038966 -0.099899 0.103419 -0.259301 0.000691 0.170533 0.004165 0.003244 0.007351 0.018329 -0.055828 -0.044133 -0.005387 -0.068300 0.039455 0.041457 -0.015933 0.003478 -0.000580 0.529671 -0.133093 0.038076 -0.007554 0.031067 -0.002505 -0.400060 0.393454 0.198558 0.059887 -0.015563 -0.041342 0.374988 0.156004 0.114112 0.020940 0.040270 0.041250 0.059466 -0.006176 -0.156027 -0.131386 -0.374136 0.005163 0.097169 0.006442 0.009270 -0.017270 -0.013746 0.028931 -0.392018 -0.014578 0.901889 0.030889 -0.012953 -0.011648 0.321281 -0.388368 1.256260 -0.029284 0.000439 0.010983 -0.373511 -0.134727 -0.183422 -0.037679 -0.142066 -0.073359 -0.055960 -0.003488 0.073598 0.086863 0.023141 -0.424163 -0.139119 -0.033244 -0.004180 0.002240 -0.005738 0.015044 0.034871 -0.063970 0.061042 -0.117021 0.079656 0.133110 -0.062399 0.007439 -0.072107 -0.038184 0.040676 -0.049193 0.081569 -0.004150 -0.059524 0.051027 0.024075 -0.079618 0.033864 0.012716 -0.008353 -0.005344 0.051206 -0.532147 -0.038995 0.035602 0.024613 0.016796 -0.017818 0.007571 -0.012687 0.018804 -0.262979 -0.019729 0.034377 -0.021736 0.285889 0.153356 -0.004449 0.061316 -0.020964 0.028537 0.034185 0.021965 -0.005131 -0.037042 -0.033324 -0.034564 -0.126829 -0.219685 0.180623 -0.185431 -0.156697 -0.263185 0.065939 -0.007327 -0.020087 0.024167 0.045128 0.062263 -0.096300 0.199649 -0.706667 0.045565 -0.090638 -0.560268 -0.035026 0.071954 -0.040081 -0.012526 -0.021035 -0.039098 0.072577 -0.007106 0.055694 0.044949 -0.012160 -0.829094 -0.000921 -0.101070 -0.072503 0.010449 0.008315 0.023761 0.032356 -0.007793 -0.046325 0.040196 -0.019144 0.046287 0.001282 0.015005 0.058595 -0.003080 0.094745 0.000878 -0.142893 -0.165137 -0.181908 0.091926 0.024858 -0.261797 -0.091454 0.033354 -0.297033 0.219968 0.073549 -0.187738 0.097610 0.149429 -0.307814 0.092404 -0.019170 -0.142654 -0.147132 -0.009281 -0.013265 0.037811 -0.065233 -0.017649 -0.272304 -0.029771 1.162200 0.000617 -0.035560 0.036596 -0.493771 -0.306783 0.430042 -0.039273 0.051367 -0.035849 0.101739 -0.118836 0.168520 -0.094270 -0.083709 0.078425 -0.008907 0.004202 0.104544 0.032070 0.396797 -0.306398 0.046950 0.045979 0.015913 -0.060442 0.002120 -0.017871 0.251145 0.034804 0.625979 -0.018403 -0.031455 -0.006915 0.468724 0.359698 0.453652 0.115163 -0.030196 0.034487 -0.100319 0.104119 -0.260625 0.010361 0.156965 0.009750 -0.004825 0.003409 0.030946 -0.056278 -0.043313 -0.005697 -0.165444 0.042493 0.081963 0.002629 0.011833 0.017986 0.526859 -0.146363 0.040743 -0.028880 0.028314 0.014639 -0.403830 0.393679 0.194597 0.020784 -0.044603 -0.061053 0.375294 0.153820 0.116222 -0.043756 0.022566 0.018850 0.049114 0.000922 -0.128993 -0.129632 -0.373254 0.006527 0.105004 0.009338 0.015207 -0.057830 0.010717 0.046078 -0.391929 -0.018845 0.909628 0.050476 -0.028224 -0.031695 0.325110 -0.385454 1.276761 0.050082 -0.009906 -0.041115 -0.374066 -0.135013 -0.182203 -0.021897 -0.140695 -0.074345 -0.022321 0.000632 0.045615 0.085378 0.022829 -0.423818 -0.147665 -0.048912 0.031162 0.014819 0.000133 0.043538 0.029823 -0.044042 0.054129 -0.098357 0.062163 0.102447 -0.053050 0.010358 -0.064952 -0.046167 0.037016 -0.015373 0.064537 -0.015064 -0.044738 0.034961 0.032073 -0.064322 0.019209 0.014524 -0.005509 -0.002135 0.052702 -0.517978 -0.038907 0.035355 0.027695 0.012112 -0.008609 -0.003013 -0.014106 0.020614 -0.261059 -0.014071 0.026164 -0.018151 0.288233 0.150602 -0.004807 0.044501 -0.018413 0.031626 0.022614 0.025798 -0.004121 -0.028342 -0.025856 -0.030816 -0.126791 -0.219491 0.180768 -0.184913 -0.156983 -0.266040 0.054147 -0.013707 -0.013753 0.023605 0.038014 0.054771 -0.096383 0.199022 -0.707522 0.045614 -0.090309 -0.561651 -0.027663 0.066586 -0.036576 -0.011394 -0.021322 -0.032998 0.070177 -0.012102 0.045972 0.044738 -0.012049 -0.827806 -0.001580 -0.100514 -0.073624 0.010423 0.005178 0.016940 0.022526 -0.005996 -0.038473 0.023718 -0.015304 0.043889 0.007888 0.013959 0.050494 -0.003160 0.074048 0.000574 -0.144055 -0.168158 -0.178244 0.092191 0.024481 -0.262572 -0.091581 0.032968 -0.298380 0.219509 0.074035 -0.183625 0.097569 0.148928 -0.306787 0.091350 -0.018240 -0.139440 -0.109589 -0.008180 -0.014996 0.036774 -0.049869 -0.008637 -0.270043 -0.035157 1.163090 0.003368 -0.035471 0.031455 -0.493687 -0.307708 0.434485 -0.040907 0.040885 -0.025724 0.101611 -0.120315 0.166491 -0.090316 -0.083236 0.059641 -0.007308 0.003838 0.101921 0.032942 0.396860 -0.306924 0.022345 0.039842 0.005979 -0.041396 0.010460 -0.016722 0.251051 0.036638 0.620555 -0.016335 -0.031627 0.003018 0.470447 0.359734 0.447811 0.107346 -0.025796 0.038801 -0.100232 0.104035 -0.262726 0.005533 0.162386 0.009257 -0.001345 0.004967 0.026053 -0.056751 -0.043673 -0.005358 -0.123682 0.039636 0.066045 -0.007132 0.009452 0.010902 0.528166 -0.140770 0.039500 -0.019288 0.029103 0.009637 -0.402621 0.393530 0.195778 0.043007 -0.032082 -0.051695 0.375063 0.155505 0.115424 -0.015580 0.028024 0.027639 0.054470 -0.002257 -0.141670 -0.131911 -0.373226 0.006308 0.098174 0.010839 0.014087 -0.040200 -0.000485 0.036580 -0.392434 -0.021934 0.906074 0.042112 -0.022168 -0.020768 0.323795 -0.386709 1.268260 0.014128 -0.004642 -0.019362 -0.373710 -0.135002 -0.183056 -0.029077 -0.141693 -0.073941 -0.036572 -0.001609 0.054641 0.087571 0.023017 -0.423752 -0.143036 -0.042288 0.016072 0.008460 -0.001287 0.032847 0.010805 -0.000005 -0.001743 0.058402 -0.014432 0.018166 -0.018868 0.002527 -0.037479 -0.011568 0.011964 -0.034035 -0.082866 0.012117 0.009072 0.014846 0.010790 -0.041269 0.030154 0.012392 0.019205 -0.017373 0.039187 -0.521217 -0.039205 0.034746 0.022810 -0.001923 -0.008954 0.016306 -0.019630 0.024840 -0.246116 -0.015569 0.012802 -0.012439 0.287360 0.154464 -0.016607 -0.003545 -0.024223 0.005653 0.002467 -0.004516 0.001698 -0.013465 -0.008217 0.001244 -0.127432 -0.219667 0.177827 -0.186781 -0.152556 -0.252027 0.023404 0.004535 -0.019809 -0.009037 0.017939 0.036183 -0.097699 0.198814 -0.707058 0.045715 -0.089713 -0.552611 -0.019933 0.028296 -0.033369 -0.001615 0.032705 -0.020339 0.047964 0.005226 0.008845 0.044900 -0.013472 -0.827817 -0.004848 -0.100839 -0.081586 0.012966 -0.006511 -0.011187 0.013843 -0.013760 -0.034584 0.008884 0.000163 0.040050 -0.020897 0.011423 0.034645 -0.000506 0.040225 0.011696 -0.139870 -0.168927 -0.181993 0.094273 0.025987 -0.260589 -0.094700 0.034626 -0.296797 0.229882 0.069049 -0.183057 0.097169 0.146463 -0.304541 0.104171 -0.024390 -0.149480 -0.034846 0.009367 0.016243 0.020132 -0.032167 -0.008437 -0.272557 -0.027165 1.173732 0.019095 -0.032360 -0.001266 -0.495736 -0.309670 0.454467 -0.036806 0.012239 -0.031235 0.103261 -0.117961 0.168437 -0.039337 -0.029203 0.037574 0.017764 0.001138 0.090353 0.031011 0.398592 -0.305125 0.086498 -0.003432 0.016295 -0.023764 -0.017900 -0.015685 0.246876 0.033391 0.600303 -0.024251 0.006197 0.004928 0.461025 0.361561 0.459577 0.044013 -0.021289 0.016696 -0.100295 0.104935 -0.274017 0.005750 0.106317 0.031001 -0.026575 -0.009528 0.004116 -0.055485 -0.043532 -0.005763 -0.050083 0.015381 0.036279 0.011224 0.032528 0.017617 0.530008 -0.154468 0.060530 0.016008 0.014167 -0.014131 -0.416806 0.398229 0.206978 -0.091912 0.004214 -0.011843 0.375701 0.155152 0.117267 -0.025550 0.020223 0.005213 0.018380 0.010577 -0.066962 -0.130355 -0.375812 0.009479 0.093439 -0.009583 0.030394 -0.024250 0.029504 0.013713 -0.400056 -0.011229 0.906208 -0.010580 -0.005576 -0.020369 0.343593 -0.382029 1.279850 0.017075 0.013982 -0.030712 -0.375470 -0.133776 -0.182507 0.008381 -0.093327 -0.019589 -0.009610 0.017405 0.022333 0.085418 0.023421 -0.422048 -0.100840 -0.025219 0.019050 0.010638 -0.014392 0.035403 0.001321 0.023808 -0.031081 0.144382 -0.054142 -0.026903 0.000839 -0.003238 -0.022694 0.006463 -0.000931 -0.039312 -0.162217 0.030911 0.037781 0.004622 -0.000333 -0.028520 0.038897 0.009796 0.041104 -0.025724 0.031838 -0.522998 -0.039578 0.034241 0.020546 -0.010602 -0.010934 0.025166 -0.019923 0.027933 -0.237884 -0.017729 0.003366 -0.009192 0.284341 0.156629 -0.022099 -0.029243 -0.026812 -0.007869 -0.006988 -0.023046 0.004812 -0.006087 0.003520 0.019512 -0.127851 -0.219695 0.176345 -0.187977 -0.150223 -0.244661 0.006232 0.013682 -0.023265 -0.025489 0.009277 0.025669 -0.098582 0.198519 -0.706649 0.045663 -0.090203 -0.549819 -0.016451 0.007358 -0.029918 0.003169 0.065920 -0.012579 0.035644 0.014836 -0.011865 0.044813 -0.014309 -0.827408 -0.007023 -0.100241 -0.086798 0.013876 -0.012886 -0.029703 0.007802 -0.018501 -0.032886 0.001115 0.008636 0.037629 -0.036662 0.010710 0.025350 0.001428 0.021041 0.017420 -0.136498 -0.169658 -0.183534 0.093918 0.026614 -0.259070 -0.095163 0.035368 -0.296142 0.235619 0.066356 -0.183135 0.096855 0.146065 -0.304753 0.109581 -0.027987 -0.154486 0.001646 0.020557 0.035558 0.012786 -0.022923 -0.009902 -0.273746 -0.023931 1.178470 0.024566 -0.030748 -0.018166 -0.496371 -0.310593 0.461539 -0.035436 -0.001058 -0.041676 0.103847 -0.116269 0.169377 -0.017980 -0.000775 0.026668 0.030216 0.002518 0.083596 0.029692 0.399583 -0.304133 0.127677 -0.020479 0.023259 -0.013116 -0.029400 -0.013657 0.245011 0.018683 0.590266 -0.025077 0.025694 0.006053 0.455973 0.362479 0.466696 0.014807 -0.016806 0.008800 -0.100193 0.105255 -0.271074 0.005879 0.069819 0.037041 -0.038864 -0.016889 -0.008097 -0.054801 -0.043116 -0.005655 -0.010450 0.003658 0.019484 0.019253 0.043504 0.019093 0.530888 -0.160482 0.070212 0.034093 0.007016 -0.026306 -0.421798 0.400021 0.213319 -0.164974 0.017534 0.004655 0.375557 0.154388 0.118068 -0.027132 0.017353 -0.004355 -0.000764 0.014869 -0.028051 -0.130285 -0.377222 0.011290 0.082678 -0.016739 0.042234 -0.014495 0.043293 0.000670 -0.403581 0.005918 0.906510 -0.033715 0.001266 -0.022600 0.351168 -0.380331 1.285127 0.016327 0.022844 -0.039739 -0.376113 -0.133469 -0.179653 0.028293 -0.068149 0.004610 0.002109 0.027307 0.008451 0.084766 0.023216 -0.420771 -0.077587 -0.019616 0.020395 0.012452 -0.021072 0.036284 0.012498 0.015113 -0.025461 -0.186432 0.018356 -0.041420 0.024548 0.013156 0.023522 -0.005350 -0.029417 -0.002115 0.209374 0.011660 0.025331 -0.007673 0.003054 0.011299 -0.007964 -0.002878 0.038212 -0.029873 0.033828 -0.506110 -0.039640 0.033009 0.015467 -0.009291 -0.001657 0.003833 -0.028713 0.029032 -0.251746 -0.015622 0.020125 0.007418 0.286859 0.159432 -0.025829 -0.019657 0.011596 -0.040853 -0.008120 -0.017092 0.009159 -0.000500 -0.008276 0.005657 -0.127515 -0.219951 0.170571 -0.186399 -0.155273 -0.237042 -0.015121 0.011687 -0.001904 0.003076 -0.015846 0.006605 -0.097107 0.197752 -0.705605 0.045438 -0.088635 -0.544216 -0.010137 -0.001726 0.012911 -0.010094 -0.001842 -0.002060 0.000877 0.006352 -0.009738 0.044456 -0.016895 -0.829115 -0.010367 -0.095478 -0.074519 0.023264 -0.007625 -0.039569 0.004094 0.001154 -0.035420 -0.008361 -0.001119 0.029972 -0.004465 -0.001874 0.007007 0.003034 -0.040729 0.039411 -0.133708 -0.173341 -0.188219 0.097049 0.028015 -0.261070 -0.099352 0.037809 -0.299744 0.238872 0.061744 -0.196575 0.097166 0.142726 -0.301400 0.101020 -0.029585 -0.135321 0.024350 0.001945 0.006763 -0.014333 0.026857 0.013742 -0.307723 -0.016339 1.199703 -0.020431 -0.026802 -0.023840 -0.496129 -0.318892 0.475520 -0.014596 -0.010102 -0.020800 0.104224 -0.116967 0.170057 0.002553 0.020927 -0.015792 0.019658 0.005695 0.046120 0.026687 0.399755 -0.302461 -0.073468 -0.002504 0.009608 0.013542 -0.036640 -0.000776 0.253800 0.036570 0.562421 0.014497 0.022202 0.032217 0.448781 0.363266 0.470379 -0.012831 0.010010 0.007015 -0.099802 0.105664 -0.290803 0.020393 0.033608 0.044726 -0.013360 0.005510 -0.010307 -0.055783 -0.043710 -0.005372 -0.086660 -0.011040 -0.010043 0.002029 0.016390 -0.002916 0.532552 -0.167677 0.099649 -0.004299 0.017848 -0.027657 -0.422520 0.408851 0.224702 -0.007259 0.010506 0.031236 0.375451 0.157921 0.119323 -0.042470 0.003107 -0.027289 -0.014870 0.007784 0.009359 -0.133142 -0.377493 0.015118 0.023589 -0.001140 -0.019897 0.008375 0.045571 -0.000985 -0.408302 -0.005098 0.905530 -0.009346 -0.007016 -0.004535 0.360456 -0.380316 1.292211 0.126389 -0.001527 -0.028537 -0.376502 -0.131167 -0.181100 0.032734 0.008004 0.021062 0.024871 -0.000338 -0.013388 0.086638 0.023969 -0.415641 -0.016196 0.002956 -0.009766 -0.001713 -0.006508 0.004117 0.010798 0.016767 -0.028653 -0.141054 0.007772 -0.039294 0.022176 0.010843 0.017247 -0.004657 -0.023194 -0.008724 0.155310 0.010462 0.027430 -0.006192 0.002494 0.005841 -0.001339 -0.001261 0.036122 -0.029019 0.033529 -0.508750 -0.039261 0.033184 0.016315 -0.009560 -0.001393 0.006669 -0.027812 0.028787 -0.249741 -0.015593 0.017924 0.004857 0.287670 0.158910 -0.025242 -0.021209 0.006020 -0.036006 -0.007798 -0.018112 0.008533 -0.000756 -0.006878 0.007532 -0.127359 -0.219898 0.171432 -0.186450 -0.154440 -0.238251 -0.011866 0.012547 -0.005329 -0.000980 -0.012222 0.007426 -0.097058 0.197842 -0.705745 0.045712 -0.088786 -0.545022 -0.010937 -0.000605 0.006393 -0.007794 0.008743 -0.003987 0.005784 0.007559 -0.009972 0.044633 -0.016481 -0.828981 -0.009664 -0.096284 -0.076278 0.022056 -0.008345 -0.038221 0.004718 -0.001801 -0.035008 -0.006645 0.000403 0.030953 -0.009214 0.000240 0.009595 0.002433 -0.031498 0.035955 -0.134380 -0.172721 -0.187634 0.097059 0.027780 -0.260971 -0.098717 0.037395 -0.299189 0.238643 0.062594 -0.194647 0.097345 0.143042 -0.301598 0.102969 -0.029332 -0.138274 0.021405 0.004756 0.011298 -0.010945 0.019621 0.010586 -0.301787 -0.017647 1.196435 -0.013751 -0.026480 -0.022273 -0.495209 -0.317007 0.474659 -0.019266 -0.008938 -0.020415 0.104490 -0.117007 0.169847 -0.001644 0.017324 -0.007824 0.023101 0.006072 0.052999 0.027482 0.399788 -0.302598 -0.044120 -0.006145 0.012859 0.009051 -0.035880 -0.003169 0.252194 0.035966 0.567240 0.007186 0.022327 0.027583 0.449637 0.363203 0.469633 -0.006367 0.004591 0.007896 -0.099794 0.105972 -0.288751 0.016313 0.041354 0.045311 -0.016539 0.001448 -0.008873 -0.055507 -0.043586 -0.005399 -0.076687 -0.008591 -0.005468 0.004861 0.020113 0.001254 0.532778 -0.166558 0.094428 0.003155 0.017195 -0.028138 -0.422014 0.406886 0.222964 -0.029021 0.011178 0.026586 0.375766 0.157541 0.119054 -0.037491 0.005349 -0.023830 -0.012942 0.007543 0.002896 -0.133114 -0.377420 0.014562 0.028452 -0.002382 -0.009083 0.004315 0.045967 -0.000407 -0.407546 -0.005716 0.904898 -0.013523 -0.006216 -0.007587 0.358861 -0.380488 1.291148 0.108731 0.003228 -0.031580 -0.376362 -0.131908 -0.181102 0.032046 -0.007766 0.018644 0.019624 0.004052 -0.009991 0.087232 0.023807 -0.416533 -0.026217 0.001297 -0.006058 0.001176 -0.008430 0.009518 0.019332 -0.028602 0.018156 0.033630 0.040215 0.014223 0.003275 0.013168 -0.002176 0.008602 -0.001322 0.011739 -0.069114 -0.014446 -0.018742 -0.002873 0.008820 0.017049 -0.026976 -0.003702 0.029171 -0.040363 0.039648 -0.494768 -0.040272 0.031473 0.013503 0.004501 -0.029600 0.009785 -0.019109 0.026865 -0.232488 -0.002035 0.026152 0.013384 0.284359 0.158937 -0.029872 0.008940 -0.003532 -0.008601 -0.002145 0.008307 0.002714 -0.000822 -0.012136 -0.005384 -0.127770 -0.220419 0.168247 -0.189288 -0.161107 -0.233512 -0.006407 0.003780 0.014688 0.004767 0.020161 -0.005198 -0.098212 0.197865 -0.705062 0.046066 -0.087505 -0.541603 -0.000571 0.000657 0.027727 0.012847 -0.026932 0.020788 -0.015097 0.009972 -0.008178 0.044630 -0.017688 -0.828874 -0.006701 -0.093187 -0.060509 -0.015547 0.000718 -0.023647 -0.002501 0.014612 -0.009791 -0.001558 -0.015333 0.014296 0.019057 -0.005558 0.007017 -0.009795 -0.007731 -0.001248 -0.129811 -0.173496 -0.193900 0.098573 0.029408 -0.264716 -0.101147 0.038632 -0.300736 0.239087 0.060017 -0.202297 0.096595 0.141291 -0.302042 0.098834 -0.025552 -0.145879 -0.007940 -0.001415 -0.006056 -0.025172 0.003432 0.015996 -0.286279 -0.012699 1.214089 -0.010129 -0.028017 -0.000107 -0.491027 -0.317150 0.478702 0.002778 0.000202 -0.036763 0.105495 -0.118178 0.173184 0.013438 0.004926 -0.036936 -0.007756 0.006141 0.018579 0.026412 0.399550 -0.301676 -0.004006 0.019037 0.002208 0.005564 -0.023814 0.004879 0.242420 0.029749 0.548263 -0.001106 0.010474 0.021295 0.442796 0.357168 0.463327 -0.012332 0.001990 0.014763 -0.100550 0.105666 -0.297662 0.006497 0.006196 0.023620 0.012983 0.010959 -0.007989 -0.054721 -0.043686 -0.004532 0.068557 -0.022828 -0.009233 -0.003688 -0.010711 0.002397 0.534883 -0.168069 0.115424 -0.017326 0.027977 -0.008202 -0.416838 0.409213 0.225076 -0.024447 -0.004321 0.005066 0.375445 0.160614 0.119812 -0.006087 0.004909 -0.037595 0.001141 0.002779 0.012770 -0.134121 -0.376752 0.018462 -0.015787 0.009502 -0.040847 0.011338 0.022542 0.000352 -0.412008 0.005948 0.907535 -0.004947 -0.007893 0.004474 0.354397 -0.374343 1.278807 0.015816 -0.002379 0.003177 -0.376964 -0.130030 -0.179285 -0.025184 0.044303 0.000185 0.012260 -0.006998 -0.022277 0.086849 0.023575 -0.413093 0.009768 0.020246 -0.026518 -0.005406 0.019333 -0.006931 0.018163 -0.023617 0.008643 0.016421 0.038590 0.008112 0.004916 0.012922 -0.000332 0.006634 -0.003806 0.009072 -0.046939 -0.012159 -0.014115 -0.003971 0.007811 0.015734 -0.026456 -0.003461 0.019382 -0.039371 0.039069 -0.496029 -0.039878 0.031707 0.014578 0.002591 -0.025598 0.008989 -0.022211 0.026642 -0.233847 -0.002689 0.026413 0.012228 0.286991 0.158998 -0.028891 0.006285 -0.002025 -0.011922 -0.003191 0.005054 0.003642 0.000879 -0.012280 -0.004471 -0.127830 -0.220311 0.168983 -0.189277 -0.160350 -0.233613 -0.007964 0.005930 0.012474 0.004718 0.014537 -0.004297 -0.098225 0.197821 -0.704625 0.046074 -0.086857 -0.540303 -0.001582 0.000796 0.024901 0.011189 -0.024599 0.016874 -0.013075 0.009805 -0.008447 0.044398 -0.017572 -0.828489 -0.006837 -0.094127 -0.061203 -0.012099 -0.000174 -0.025465 -0.001738 0.012916 -0.011791 -0.002192 -0.013488 0.015418 0.016049 -0.005038 0.007057 -0.009106 -0.009894 0.002734 -0.131725 -0.173209 -0.192780 0.099477 0.029321 -0.264090 -0.101901 0.038545 -0.299979 0.239306 0.060436 -0.201098 0.096721 0.140686 -0.300296 0.100604 -0.026162 -0.144922 -0.004213 -0.000991 -0.005696 -0.024070 0.005164 0.015164 -0.288395 -0.013420 1.212672 -0.010704 -0.028917 -0.001598 -0.490070 -0.316930 0.480283 0.001101 -0.000288 -0.028593 0.105377 -0.117843 0.173505 0.012482 0.005915 -0.033303 -0.005848 0.005701 0.017663 0.026541 0.399079 -0.301153 -0.007969 0.015631 0.003698 0.006218 -0.022538 0.003736 0.243897 0.036689 0.550704 0.000409 0.010786 0.020714 0.442168 0.358093 0.464171 -0.011855 0.002671 0.012842 -0.100722 0.106171 -0.299016 0.007233 0.010281 0.028379 0.013146 0.010020 -0.008284 -0.054931 -0.044099 -0.003681 0.054985 -0.021234 -0.008681 -0.003236 -0.007239 0.002375 0.534498 -0.167940 0.113331 -0.016128 0.026338 -0.009451 -0.417618 0.408908 0.224532 -0.024604 -0.002373 0.007402 0.375333 0.160055 0.120287 -0.009107 0.004724 -0.034886 -0.000778 0.002830 0.013125 -0.133763 -0.376287 0.018665 -0.013558 0.009000 -0.037698 0.010632 0.022501 -0.000305 -0.411522 -0.001486 0.907349 -0.005256 -0.006525 0.003715 0.354852 -0.375080 1.281379 0.023346 -0.002586 0.000468 -0.376865 -0.130689 -0.179668 -0.018738 0.040376 0.001013 0.013508 -0.006180 -0.020705 0.086663 0.023962 -0.412748 0.009949 0.017353 -0.024783 -0.005551 0.017125 -0.004740 0.000170 0.007999 -0.005356 0.028234 -0.016915 0.008782 0.001993 -0.001420 -0.003888 0.008802 -0.000939 0.009034 0.020565 -0.014801 -0.007823 0.002050 -0.000673 0.005165 -0.003611 0.005298 0.000165 -0.039532 0.037914 -0.505481 -0.040066 0.031716 0.012204 0.001208 -0.009499 0.001208 -0.024383 0.022501 -0.238094 0.008995 0.003929 0.008278 0.288898 0.157826 -0.039724 -0.003757 0.002398 0.002017 -0.005128 0.013688 -0.008498 0.000040 0.004292 0.001815 -0.127387 -0.221245 0.169888 -0.188133 -0.159713 -0.238124 -0.003104 0.008954 0.010639 -0.011660 0.009982 -0.010359 -0.097685 0.198327 -0.705794 0.046156 -0.085193 -0.537237 0.006489 0.001067 0.002936 0.004222 0.027035 0.022036 -0.015247 -0.003597 0.004634 0.044348 -0.017988 -0.829001 -0.004080 -0.096289 -0.051049 -0.013845 -0.001975 -0.004628 -0.005893 0.009368 -0.007280 -0.002373 -0.005579 0.001829 0.002879 0.003530 0.008031 -0.014186 -0.000326 0.002920 -0.131659 -0.171993 -0.195649 0.102462 0.029123 -0.265724 -0.104726 0.038510 -0.299687 0.237065 0.060299 -0.198890 0.096871 0.138516 -0.299709 0.099700 -0.025479 -0.135337 -0.007375 0.008812 0.014136 -0.007514 0.002349 -0.005193 -0.291545 -0.011171 1.211890 -0.008810 -0.032208 0.005253 -0.484587 -0.315592 0.489362 0.001768 -0.008881 -0.017971 0.105566 -0.119020 0.176469 0.011035 0.001232 -0.022985 -0.006871 -0.000279 0.022485 0.027142 0.398105 -0.301079 -0.024270 0.008944 -0.002505 -0.009578 -0.020507 0.006123 0.245926 0.041345 0.554147 0.000725 0.018822 0.003514 0.437714 0.359447 0.461559 -0.002235 -0.006505 0.005336 -0.100959 0.107366 -0.313458 0.013012 -0.016411 0.025451 0.002934 0.001828 -0.008786 -0.055847 -0.043478 -0.003860 0.012891 -0.011131 -0.004976 0.000225 -0.004094 0.005158 0.534278 -0.167544 0.111366 -0.008386 0.025622 0.006445 -0.415571 0.408958 0.222424 -0.012871 0.004634 -0.001272 0.374654 0.160852 0.120099 0.002250 0.003533 -0.024022 0.003068 0.007907 -0.001691 -0.134718 -0.375981 0.018676 -0.009677 -0.005724 -0.013232 -0.002007 0.025952 -0.001432 -0.413697 -0.002436 0.910545 -0.003897 0.004657 0.006035 0.351212 -0.379638 1.276928 0.008044 0.007814 -0.003847 -0.376075 -0.131995 -0.180428 -0.014649 0.014421 -0.001255 0.007239 0.009989 -0.012646 0.087494 0.022756 -0.412624 0.004132 0.013120 -0.003020 -0.004862 0.015483 -0.001370</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="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a49" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a66" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a43" 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 a64" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a72" 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="2.11306"
                           xFract="0.25036256"
                           y3="0.00301"
                           yFract="0.00035664"
                           z3="4.21356"
                           zFract="0.18962916"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21331"
                           xFract="0.49920735"
                           y3="4.21931"
                           yFract="0.49991825"
                           z3="6.33177"
                           zFract="0.28495815"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.33622"
                           xFract="0.75073697"
                           y3="4.22441"
                           yFract="0.50052251"
                           z3="8.42472"
                           zFract="0.37915032"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32604"
                           xFract="0.74953081"
                           y3="-0.00242"
                           yFract="-0.00028673"
                           z3="4.21674"
                           zFract="0.18977228"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00159"
                           xFract="0.00018839"
                           y3="2.11268"
                           yFract="0.25031754"
                           z3="4.2145"
                           zFract="0.18967147"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.00702"
                           xFract="0.00083175"
                           y3="6.32867"
                           yFract="0.74984242"
                           z3="8.4217"
                           zFract="0.3790144"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.10159"
                           xFract="0.24900355"
                           y3="-0.00438"
                           yFract="-0.00051896"
                           z3="8.43828"
                           zFract="0.37976058"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1095"
                           xFract="0.24994076"
                           y3="2.11175"
                           yFract="0.25020735"
                           z3="6.33768"
                           zFract="0.28522412"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21002"
                           xFract="0.49881754"
                           y3="2.11708"
                           yFract="0.25083886"
                           z3="8.42155"
                           zFract="0.37900765"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.32192"
                           xFract="0.74904265"
                           y3="4.22051"
                           yFract="0.50006043"
                           z3="4.21492"
                           zFract="0.18969037"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.00212"
                           xFract="-0.00025118"
                           y3="6.33537"
                           yFract="0.75063626"
                           z3="4.21834"
                           zFract="0.18984428"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.21435"
                           xFract="0.49933057"
                           y3="6.32292"
                           yFract="0.74916114"
                           z3="8.42779"
                           zFract="0.37928848"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00983"
                           xFract="0.00116469"
                           y3="2.11277"
                           yFract="0.2503282"
                           z3="8.41988"
                           zFract="0.37893249"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10876"
                           xFract="0.24985308"
                           y3="6.32515"
                           yFract="0.74942536"
                           z3="6.33169"
                           zFract="0.28495455"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22099"
                           xFract="0.5001173"
                           y3="6.32852"
                           yFract="0.74982464"
                           z3="4.21289"
                           zFract="0.18959901"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21924"
                           xFract="0.49990995"
                           y3="2.1106"
                           yFract="0.25007109"
                           z3="4.22092"
                           zFract="0.1899604"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.10993"
                           xFract="0.24999171"
                           y3="4.2216"
                           yFract="0.50018957"
                           z3="4.22173"
                           zFract="0.18999685"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.00679"
                           xFract="0.0008045"
                           y3="4.21824"
                           yFract="0.49979147"
                           z3="6.33926"
                           zFract="0.28529523"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10764"
                           xFract="0.24972038"
                           y3="4.22136"
                           yFract="0.50016114"
                           z3="8.46306"
                           zFract="0.38087579"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00557"
                           xFract="0.00065995"
                           y3="0.00164"
                           yFract="0.00019431"
                           z3="6.33497"
                           zFract="0.28510216"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.33791"
                           xFract="0.7509372"
                           y3="-0.00525"
                           yFract="-0.00062204"
                           z3="8.44278"
                           zFract="0.3799631"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.33177"
                           xFract="0.75020972"
                           y3="2.10819"
                           yFract="0.24978555"
                           z3="6.32745"
                           zFract="0.28476373"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.21592"
                           xFract="0.49951659"
                           y3="0.0022"
                           yFract="0.00026066"
                           z3="6.32709"
                           zFract="0.28474752"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33095"
                           xFract="0.75011256"
                           y3="6.33184"
                           yFract="0.75021801"
                           z3="6.33231"
                           zFract="0.28498245"/>
                     <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="0.01411"
                           xFract="0.0016718"
                           y3="2.10758"
                           yFract="0.24971327"
                           z3="6.31833"
                           zFract="0.28435329"/>
                     <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="2.11328"
                           xFract="0.25038863"
                           y3="0.00252"
                           yFract="0.00029858"
                           z3="6.32249"
                           zFract="0.2845405"/>
                     <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="0.00423"
                           xFract="0.00050118"
                           y3="0.00322"
                           yFract="0.00038152"
                           z3="4.19398"
                           zFract="0.18874797"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01324"
                           xFract="0.00156872"
                           y3="-0.00116"
                           yFract="-0.00013744"
                           z3="8.46198"
                           zFract="0.38082718"/>
                     <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="2.08198"
                           xFract="0.24668009"
                           y3="2.08879"
                           yFract="0.24748697"
                           z3="4.23566"
                           zFract="0.19062376"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10846"
                           xFract="0.24981754"
                           y3="2.09909"
                           yFract="0.24870735"
                           z3="8.44654"
                           zFract="0.38013231"/>
                     <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="4.2051"
                           xFract="0.4982346"
                           y3="2.13138"
                           yFract="0.25253318"
                           z3="6.33717"
                           zFract="0.28520117"/>
                     <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="6.32635"
                           xFract="0.74956754"
                           y3="0.00349"
                           yFract="0.00041351"
                           z3="6.31158"
                           zFract="0.2840495"/>
                     <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="4.21593"
                           xFract="0.49951777"
                           y3="0.00659"
                           yFract="0.00078081"
                           z3="4.21825"
                           zFract="0.18984023"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21004"
                           xFract="0.49881991"
                           y3="-0.00061"
                           yFract="-0.00007227"
                           z3="8.46597"
                           zFract="0.38100675"/>
                     <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="6.3571"
                           xFract="0.7532109"
                           y3="2.10947"
                           yFract="0.2499372"
                           z3="4.20557"
                           zFract="0.18926958"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33122"
                           xFract="0.75014455"
                           y3="2.12511"
                           yFract="0.25179028"
                           z3="8.4683"
                           zFract="0.38111161"/>
                     <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="0.01871"
                           xFract="0.00221682"
                           y3="6.33175"
                           yFract="0.75020735"
                           z3="6.32964"
                           zFract="0.28486229"/>
                     <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="2.13469"
                           xFract="0.25292536"
                           y3="4.21735"
                           yFract="0.49968602"
                           z3="6.29634"
                           zFract="0.28336364"/>
                     <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="-0.02526"
                           xFract="-0.00299289"
                           y3="4.22417"
                           yFract="0.50049408"
                           z3="4.21185"
                           zFract="0.18955221"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01196"
                           xFract="-0.00141706"
                           y3="4.22276"
                           yFract="0.50032701"
                           z3="8.44515"
                           zFract="0.38006976"/>
                     <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="2.09023"
                           xFract="0.24765758"
                           y3="6.3511"
                           yFract="0.7525"
                           z3="4.2222"
                           zFract="0.190018"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11074"
                           xFract="0.25008768"
                           y3="6.34356"
                           yFract="0.75160664"
                           z3="8.43841"
                           zFract="0.37976643"/>
                     <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="4.20069"
                           xFract="0.49771209"
                           y3="6.31019"
                           yFract="0.74765284"
                           z3="6.34047"
                           zFract="0.28534968"/>
                     <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="6.30342"
                           xFract="0.74685071"
                           y3="4.21655"
                           yFract="0.49959123"
                           z3="6.33531"
                           zFract="0.28511746"/>
                     <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="4.23988"
                           xFract="0.50235545"
                           y3="4.21076"
                           yFract="0.49890521"
                           z3="4.24395"
                           zFract="0.19099685"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23058"
                           xFract="0.50125355"
                           y3="4.22083"
                           yFract="0.50009834"
                           z3="8.44154"
                           zFract="0.37990729"/>
                     <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="6.34815"
                           xFract="0.75215047"
                           y3="6.33133"
                           yFract="0.75015758"
                           z3="4.22539"
                           zFract="0.19016157"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32975"
                           xFract="0.74997038"
                           y3="6.3133"
                           yFract="0.74802133"
                           z3="8.46417"
                           zFract="0.38092574"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a49" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a66" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a43" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a64" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a30 a46" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a55" 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 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" 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="2.11691"
                           xFract="0.25081872"
                           y3="0.0068"
                           yFract="0.00080569"
                           z3="4.20571"
                           zFract="0.18927588"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.20489"
                           xFract="0.49820972"
                           y3="4.21844"
                           yFract="0.49981517"
                           z3="6.33451"
                           zFract="0.28508146"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.34405"
                           xFract="0.75166469"
                           y3="4.22997"
                           yFract="0.50118128"
                           z3="8.40599"
                           zFract="0.37830738"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32105"
                           xFract="0.74893957"
                           y3="-0.00546"
                           yFract="-0.00064692"
                           z3="4.21288"
                           zFract="0.18959856"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00359"
                           xFract="0.00042536"
                           y3="2.11605"
                           yFract="0.25071682"
                           z3="4.20783"
                           zFract="0.18937129"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01585"
                           xFract="0.00187796"
                           y3="6.32698"
                           yFract="0.74964218"
                           z3="8.39916"
                           zFract="0.3780"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.0910"
                           xFract="0.24774882"
                           y3="-0.0099"
                           yFract="-0.00117299"
                           z3="8.43661"
                           zFract="0.37968542"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10888"
                           xFract="0.2498673"
                           y3="2.11394"
                           yFract="0.25046682"
                           z3="6.34787"
                           zFract="0.28568272"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.19746"
                           xFract="0.49732938"
                           y3="2.12601"
                           yFract="0.25189692"
                           z3="8.39882"
                           zFract="0.3779847"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.31174"
                           xFract="0.74783649"
                           y3="4.22114"
                           yFract="0.50013507"
                           z3="4.20878"
                           zFract="0.18941404"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.00479"
                           xFract="-0.00056754"
                           y3="6.34214"
                           yFract="0.75143839"
                           z3="4.21649"
                           zFract="0.18976103"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.20725"
                           xFract="0.49848934"
                           y3="6.3140"
                           yFract="0.74810427"
                           z3="8.41291"
                           zFract="0.37861881"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0222"
                           xFract="0.00263033"
                           y3="2.11626"
                           yFract="0.25074171"
                           z3="8.39506"
                           zFract="0.37781548"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1072"
                           xFract="0.24966825"
                           y3="6.31905"
                           yFract="0.74870261"
                           z3="6.33434"
                           zFract="0.28507381"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22223"
                           xFract="0.50026422"
                           y3="6.32666"
                           yFract="0.74960427"
                           z3="4.20418"
                           zFract="0.18920702"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21828"
                           xFract="0.49979621"
                           y3="2.11136"
                           yFract="0.25016114"
                           z3="4.22233"
                           zFract="0.19002385"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.10984"
                           xFract="0.24998104"
                           y3="4.22362"
                           yFract="0.50042891"
                           z3="4.22417"
                           zFract="0.19010666"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.01534"
                           xFract="0.00181754"
                           y3="4.21602"
                           yFract="0.49952844"
                           z3="6.35144"
                           zFract="0.28584338"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10466"
                           xFract="0.2493673"
                           y3="4.22306"
                           yFract="0.50036256"
                           z3="8.4926"
                           zFract="0.38220522"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01259"
                           xFract="0.00149171"
                           y3="0.00371"
                           yFract="0.00043957"
                           z3="6.34173"
                           zFract="0.28540639"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.34786"
                           xFract="0.75211611"
                           y3="-0.01186"
                           yFract="-0.00140521"
                           z3="8.44678"
                           zFract="0.38014311"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.33401"
                           xFract="0.75047512"
                           y3="2.10591"
                           yFract="0.2495154"
                           z3="6.32476"
                           zFract="0.28464266"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.21078"
                           xFract="0.49890758"
                           y3="0.00497"
                           yFract="0.00058886"
                           z3="6.32393"
                           zFract="0.28460531"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33215"
                           xFract="0.75025474"
                           y3="6.33415"
                           yFract="0.75049171"
                           z3="6.33573"
                           zFract="0.28513636"/>
                     <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="0.03187"
                           xFract="0.00377607"
                           y3="2.10454"
                           yFract="0.24935308"
                           z3="6.30416"
                           zFract="0.28371557"/>
                     <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="2.1174"
                           xFract="0.25087678"
                           y3="0.0057"
                           yFract="0.00067536"
                           z3="6.31354"
                           zFract="0.28413771"/>
                     <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="0.00956"
                           xFract="0.0011327"
                           y3="0.00728"
                           yFract="0.00086256"
                           z3="4.16147"
                           zFract="0.18728488"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02991"
                           xFract="0.00354384"
                           y3="-0.00261"
                           yFract="-0.00030924"
                           z3="8.49016"
                           zFract="0.38209541"/>
                     <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="2.04669"
                           xFract="0.24249882"
                           y3="2.06209"
                           yFract="0.24432346"
                           z3="4.25563"
                           zFract="0.1915225"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10653"
                           xFract="0.24958886"
                           y3="2.08536"
                           yFract="0.24708057"
                           z3="8.45529"
                           zFract="0.3805261"/>
                     <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="4.18635"
                           xFract="0.49601303"
                           y3="2.1583"
                           yFract="0.25572275"
                           z3="6.34672"
                           zFract="0.28563096"/>
                     <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="6.32175"
                           xFract="0.74902251"
                           y3="0.00787"
                           yFract="0.00093246"
                           z3="6.2889"
                           zFract="0.2830288"/>
                     <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="4.2108"
                           xFract="0.49890995"
                           y3="0.01489"
                           yFract="0.00176422"
                           z3="4.2163"
                           zFract="0.18975248"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.19751"
                           xFract="0.49733531"
                           y3="-0.00137"
                           yFract="-0.00016232"
                           z3="8.49916"
                           zFract="0.38250045"/>
                     <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="6.39122"
                           xFract="0.75725355"
                           y3="2.1088"
                           yFract="0.24985782"
                           z3="4.18765"
                           zFract="0.1884631"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33275"
                           xFract="0.75032583"
                           y3="2.14413"
                           yFract="0.25404384"
                           z3="8.50443"
                           zFract="0.38273762"/>
                     <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="0.04228"
                           xFract="0.00500948"
                           y3="6.33396"
                           yFract="0.75046919"
                           z3="6.3297"
                           zFract="0.28486499"/>
                     <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="2.16578"
                           xFract="0.256609"
                           y3="4.21401"
                           yFract="0.49929028"
                           z3="6.25446"
                           zFract="0.28147885"/>
                     <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="-0.05706"
                           xFract="-0.00676066"
                           y3="4.22942"
                           yFract="0.50111611"
                           z3="4.20185"
                           zFract="0.18910216"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.02702"
                           xFract="-0.00320142"
                           y3="4.22623"
                           yFract="0.50073815"
                           z3="8.45213"
                           zFract="0.38038389"/>
                     <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="2.06534"
                           xFract="0.24470853"
                           y3="6.37768"
                           yFract="0.75564929"
                           z3="4.22521"
                           zFract="0.19015347"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11167"
                           xFract="0.25019787"
                           y3="6.36064"
                           yFract="0.75363033"
                           z3="8.43691"
                           zFract="0.37969892"/>
                     <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="4.17637"
                           xFract="0.49483057"
                           y3="6.28523"
                           yFract="0.7446955"
                           z3="6.35417"
                           zFract="0.28596625"/>
                     <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="6.26995"
                           xFract="0.74288507"
                           y3="4.2122"
                           yFract="0.49907583"
                           z3="6.34252"
                           zFract="0.28544194"/>
                     <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="4.2649"
                           xFract="0.50531991"
                           y3="4.19913"
                           yFract="0.49752725"
                           z3="4.27435"
                           zFract="0.19236499"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.24389"
                           xFract="0.50283057"
                           y3="4.22187"
                           yFract="0.50022156"
                           z3="8.44398"
                           zFract="0.3800171"/>
                     <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="6.37101"
                           xFract="0.754859"
                           y3="6.3330"
                           yFract="0.75035545"
                           z3="4.23242"
                           zFract="0.19047795"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32943"
                           xFract="0.74993246"
                           y3="6.29227"
                           yFract="0.74552962"
                           z3="8.4951"
                           zFract="0.38231773"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a49" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a66" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a43" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a55" 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 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" 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="2.11777"
                           xFract="0.25092062"
                           y3="0.00765"
                           yFract="0.0009064"
                           z3="4.20394"
                           zFract="0.18919622"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.20299"
                           xFract="0.4979846"
                           y3="4.21824"
                           yFract="0.49979147"
                           z3="6.33513"
                           zFract="0.28510936"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.34581"
                           xFract="0.75187322"
                           y3="4.23122"
                           yFract="0.50132938"
                           z3="8.40177"
                           zFract="0.37811746"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31992"
                           xFract="0.74880569"
                           y3="-0.00614"
                           yFract="-0.00072749"
                           z3="4.21201"
                           zFract="0.18955941"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00405"
                           xFract="0.00047986"
                           y3="2.11681"
                           yFract="0.25080687"
                           z3="4.20633"
                           zFract="0.18930378"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01784"
                           xFract="0.00211374"
                           y3="6.32661"
                           yFract="0.74959834"
                           z3="8.39408"
                           zFract="0.37777138"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.08861"
                           xFract="0.24746564"
                           y3="-0.01115"
                           yFract="-0.00132109"
                           z3="8.43624"
                           zFract="0.37966877"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10874"
                           xFract="0.24985071"
                           y3="2.11444"
                           yFract="0.25052607"
                           z3="6.35016"
                           zFract="0.28578578"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.19463"
                           xFract="0.49699408"
                           y3="2.12802"
                           yFract="0.25213507"
                           z3="8.3937"
                           zFract="0.37775428"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.30945"
                           xFract="0.74756517"
                           y3="4.22128"
                           yFract="0.50015166"
                           z3="4.2074"
                           zFract="0.18935194"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.00539"
                           xFract="-0.00063863"
                           y3="6.34366"
                           yFract="0.75161848"
                           z3="4.21607"
                           zFract="0.18974212"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.20564"
                           xFract="0.49829858"
                           y3="6.31199"
                           yFract="0.74786611"
                           z3="8.40956"
                           zFract="0.37846805"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.02499"
                           xFract="0.0029609"
                           y3="2.11704"
                           yFract="0.25083412"
                           z3="8.38947"
                           zFract="0.37756391"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10684"
                           xFract="0.24962559"
                           y3="6.31768"
                           yFract="0.74854028"
                           z3="6.33493"
                           zFract="0.28510036"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22251"
                           xFract="0.50029739"
                           y3="6.32624"
                           yFract="0.7495545"
                           z3="4.20222"
                           zFract="0.18911881"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21807"
                           xFract="0.49977133"
                           y3="2.11153"
                           yFract="0.25018128"
                           z3="4.22265"
                           zFract="0.19003825"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.10982"
                           xFract="0.24997867"
                           y3="4.22408"
                           yFract="0.50048341"
                           z3="4.22472"
                           zFract="0.19013141"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.01726"
                           xFract="0.00204502"
                           y3="4.21553"
                           yFract="0.49947038"
                           z3="6.35418"
                           zFract="0.2859667"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1040"
                           xFract="0.2492891"
                           y3="4.22345"
                           yFract="0.50040877"
                           z3="8.49926"
                           zFract="0.38250495"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01417"
                           xFract="0.00167891"
                           y3="0.00417"
                           yFract="0.00049408"
                           z3="6.34326"
                           zFract="0.28547525"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3501"
                           xFract="0.75238152"
                           y3="-0.01335"
                           yFract="-0.00158175"
                           z3="8.44768"
                           zFract="0.38018362"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.33451"
                           xFract="0.75053436"
                           y3="2.1054"
                           yFract="0.24945498"
                           z3="6.32415"
                           zFract="0.28461521"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20962"
                           xFract="0.49877014"
                           y3="0.00559"
                           yFract="0.00066232"
                           z3="6.32322"
                           zFract="0.28457336"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33242"
                           xFract="0.75028673"
                           y3="6.33467"
                           yFract="0.75055332"
                           z3="6.3365"
                           zFract="0.28517102"/>
                     <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="0.03587"
                           xFract="0.00425"
                           y3="2.10385"
                           yFract="0.24927133"
                           z3="6.30097"
                           zFract="0.28357201"/>
                     <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="2.11833"
                           xFract="0.25098697"
                           y3="0.00642"
                           yFract="0.00076066"
                           z3="6.31153"
                           zFract="0.28404725"/>
                     <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="0.01076"
                           xFract="0.00127488"
                           y3="0.00819"
                           yFract="0.00097038"
                           z3="4.15415"
                           zFract="0.18695545"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.03366"
                           xFract="0.00398815"
                           y3="-0.00294"
                           yFract="-0.00034834"
                           z3="8.4965"
                           zFract="0.38238074"/>
                     <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="2.03875"
                           xFract="0.24155806"
                           y3="2.05607"
                           yFract="0.24361019"
                           z3="4.26013"
                           zFract="0.19172502"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10609"
                           xFract="0.24953673"
                           y3="2.08227"
                           yFract="0.24671445"
                           z3="8.45725"
                           zFract="0.38061431"/>
                     <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="4.18212"
                           xFract="0.49551185"
                           y3="2.16436"
                           yFract="0.25644076"
                           z3="6.34887"
                           zFract="0.28572772"/>
                     <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="6.32071"
                           xFract="0.74889929"
                           y3="0.00886"
                           yFract="0.00104976"
                           z3="6.28379"
                           zFract="0.28279883"/>
                     <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="4.20965"
                           xFract="0.4987737"
                           y3="0.01676"
                           yFract="0.00198578"
                           z3="4.21586"
                           zFract="0.18973267"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.19469"
                           xFract="0.49700118"
                           y3="-0.00154"
                           yFract="-0.00018246"
                           z3="8.50664"
                           zFract="0.38283708"/>
                     <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="6.3989"
                           xFract="0.75816351"
                           y3="2.10865"
                           yFract="0.24984005"
                           z3="4.18362"
                           zFract="0.18828173"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3331"
                           xFract="0.7503673"
                           y3="2.14842"
                           yFract="0.25455213"
                           z3="8.51257"
                           zFract="0.38310396"/>
                     <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="0.04759"
                           xFract="0.00563863"
                           y3="6.33446"
                           yFract="0.75052844"
                           z3="6.32972"
                           zFract="0.28486589"/>
                     <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="2.17278"
                           xFract="0.25743839"
                           y3="4.21325"
                           yFract="0.49920024"
                           z3="6.24503"
                           zFract="0.28105446"/>
                     <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="-0.06422"
                           xFract="-0.007609"
                           y3="4.2306"
                           yFract="0.50125592"
                           z3="4.19959"
                           zFract="0.18900045"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.03041"
                           xFract="-0.00360308"
                           y3="4.22701"
                           yFract="0.50083057"
                           z3="8.45371"
                           zFract="0.380455"/>
                     <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="2.05974"
                           xFract="0.24404502"
                           y3="6.38366"
                           yFract="0.75635782"
                           z3="4.22589"
                           zFract="0.19018407"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11188"
                           xFract="0.25022275"
                           y3="6.36449"
                           yFract="0.75408649"
                           z3="8.43657"
                           zFract="0.37968362"/>
                     <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="4.1709"
                           xFract="0.49418246"
                           y3="6.27961"
                           yFract="0.74402962"
                           z3="6.35725"
                           zFract="0.28610486"/>
                     <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="6.26242"
                           xFract="0.74199289"
                           y3="4.21123"
                           yFract="0.4989609"
                           z3="6.34414"
                           zFract="0.28551485"/>
                     <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="4.27054"
                           xFract="0.50598815"
                           y3="4.19651"
                           yFract="0.49721682"
                           z3="4.2812"
                           zFract="0.19267327"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.24689"
                           xFract="0.50318602"
                           y3="4.2221"
                           yFract="0.50024882"
                           z3="8.44452"
                           zFract="0.3800414"/>
                     <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="6.37616"
                           xFract="0.75546919"
                           y3="6.33337"
                           yFract="0.75039929"
                           z3="4.23401"
                           zFract="0.1905495"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32935"
                           xFract="0.74992299"
                           y3="6.28753"
                           yFract="0.74496801"
                           z3="8.50207"
                           zFract="0.38263141"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a66" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a43" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a55" 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 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" 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="2.10646"
                           xFract="0.24958057"
                           y3="0.00464"
                           yFract="0.00054976"
                           z3="4.20538"
                           zFract="0.18926103"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.20156"
                           xFract="0.49781517"
                           y3="4.22184"
                           yFract="0.50021801"
                           z3="6.34399"
                           zFract="0.2855081"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.34519"
                           xFract="0.75179976"
                           y3="4.22553"
                           yFract="0.50065521"
                           z3="8.41013"
                           zFract="0.3784937"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32409"
                           xFract="0.74929976"
                           y3="-0.00547"
                           yFract="-0.0006481"
                           z3="4.19973"
                           zFract="0.18900675"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00267"
                           xFract="0.00031635"
                           y3="2.11787"
                           yFract="0.25093246"
                           z3="4.1977"
                           zFract="0.18891539"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02128"
                           xFract="0.00252133"
                           y3="6.32757"
                           yFract="0.74971209"
                           z3="8.39624"
                           zFract="0.37786859"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.09149"
                           xFract="0.24780687"
                           y3="-0.0124"
                           yFract="-0.00146919"
                           z3="8.44184"
                           zFract="0.37992079"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.11033"
                           xFract="0.2500391"
                           y3="2.11585"
                           yFract="0.25069313"
                           z3="6.35374"
                           zFract="0.28594689"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.19531"
                           xFract="0.49707464"
                           y3="2.12867"
                           yFract="0.25221209"
                           z3="8.40315"
                           zFract="0.37817957"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.31464"
                           xFract="0.74818009"
                           y3="4.22461"
                           yFract="0.50054621"
                           z3="4.2076"
                           zFract="0.18936094"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.00532"
                           xFract="-0.00063033"
                           y3="6.34504"
                           yFract="0.75178199"
                           z3="4.21409"
                           zFract="0.18965302"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.20372"
                           xFract="0.49807109"
                           y3="6.31138"
                           yFract="0.74779384"
                           z3="8.41647"
                           zFract="0.37877903"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.02488"
                           xFract="0.00294787"
                           y3="2.11746"
                           yFract="0.25088389"
                           z3="8.38758"
                           zFract="0.37747885"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10811"
                           xFract="0.24977607"
                           y3="6.31673"
                           yFract="0.74842773"
                           z3="6.32734"
                           zFract="0.28475878"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21888"
                           xFract="0.4998673"
                           y3="6.32214"
                           yFract="0.74906872"
                           z3="4.20666"
                           zFract="0.18931863"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21705"
                           xFract="0.49965047"
                           y3="2.11309"
                           yFract="0.25036611"
                           z3="4.22723"
                           zFract="0.19024437"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.10162"
                           xFract="0.24900711"
                           y3="4.22712"
                           yFract="0.5008436"
                           z3="4.21334"
                           zFract="0.18961926"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.02498"
                           xFract="0.00295972"
                           y3="4.21726"
                           yFract="0.49967536"
                           z3="6.34398"
                           zFract="0.28550765"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10376"
                           xFract="0.24926066"
                           y3="4.22689"
                           yFract="0.50081635"
                           z3="8.51719"
                           zFract="0.38331188"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02422"
                           xFract="0.00286967"
                           y3="0.00242"
                           yFract="0.00028673"
                           z3="6.33923"
                           zFract="0.28529388"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.35127"
                           xFract="0.75252014"
                           y3="-0.01287"
                           yFract="-0.00152488"
                           z3="8.45776"
                           zFract="0.38063726"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.33542"
                           xFract="0.75064218"
                           y3="2.10696"
                           yFract="0.24963981"
                           z3="6.32621"
                           zFract="0.28470792"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20214"
                           xFract="0.49788389"
                           y3="0.0028"
                           yFract="0.00033175"
                           z3="6.33319"
                           zFract="0.28502205"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33237"
                           xFract="0.75028081"
                           y3="6.33209"
                           yFract="0.75024763"
                           z3="6.34214"
                           zFract="0.28542484"/>
                     <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="0.03063"
                           xFract="0.00362915"
                           y3="2.10181"
                           yFract="0.24902962"
                           z3="6.29379"
                           zFract="0.28324887"/>
                     <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="2.12682"
                           xFract="0.25199289"
                           y3="0.00748"
                           yFract="0.00088626"
                           z3="6.31131"
                           zFract="0.28403735"/>
                     <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="0.01546"
                           yFract="0.00183175"
                           z3="4.12845"
                           zFract="0.18579883"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.03133"
                           xFract="0.00371209"
                           y3="-0.00267"
                           yFract="-0.00031635"
                           z3="8.5128"
                           zFract="0.38311431"/>
                     <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="2.00592"
                           xFract="0.23766825"
                           y3="2.04051"
                           yFract="0.24176659"
                           z3="4.25891"
                           zFract="0.19167012"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10077"
                           xFract="0.2489064"
                           y3="2.08393"
                           yFract="0.24691114"
                           z3="8.46019"
                           zFract="0.38074662"/>
                     <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="4.18447"
                           xFract="0.49579028"
                           y3="2.16661"
                           yFract="0.25670735"
                           z3="6.34368"
                           zFract="0.28549415"/>
                     <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="6.31188"
                           xFract="0.74785308"
                           y3="0.01128"
                           yFract="0.00133649"
                           z3="6.28723"
                           zFract="0.28295365"/>
                     <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="4.20994"
                           xFract="0.49880806"
                           y3="0.02832"
                           yFract="0.00335545"
                           z3="4.2176"
                           zFract="0.18981098"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.19982"
                           xFract="0.497609"
                           y3="-0.0025"
                           yFract="-0.00029621"
                           z3="8.5057"
                           zFract="0.38279478"/>
                     <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="6.42964"
                           xFract="0.76180569"
                           y3="2.1048"
                           yFract="0.24938389"
                           z3="4.18594"
                           zFract="0.18838614"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34016"
                           xFract="0.75120379"
                           y3="2.14554"
                           yFract="0.2542109"
                           z3="8.50962"
                           zFract="0.3829712"/>
                     <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="0.0435"
                           xFract="0.00515403"
                           y3="6.33657"
                           yFract="0.75077844"
                           z3="6.3296"
                           zFract="0.28486049"/>
                     <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="2.19559"
                           xFract="0.260141"
                           y3="4.21161"
                           yFract="0.49900592"
                           z3="6.23214"
                           zFract="0.28047435"/>
                     <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="-0.07435"
                           xFract="-0.00880924"
                           y3="4.23183"
                           yFract="0.50140166"
                           z3="4.20797"
                           zFract="0.18937759"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0282"
                           xFract="-0.00334123"
                           y3="4.2274"
                           yFract="0.50087678"
                           z3="8.44488"
                           zFract="0.38005761"/>
                     <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="2.05748"
                           xFract="0.24377725"
                           y3="6.40133"
                           yFract="0.75845142"
                           z3="4.22004"
                           zFract="0.18992079"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10681"
                           xFract="0.24962204"
                           y3="6.36459"
                           yFract="0.75409834"
                           z3="8.43398"
                           zFract="0.37956706"/>
                     <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="4.17497"
                           xFract="0.49466469"
                           y3="6.27955"
                           yFract="0.74402251"
                           z3="6.35213"
                           zFract="0.28587444"/>
                     <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="6.23418"
                           xFract="0.73864692"
                           y3="4.20773"
                           yFract="0.49854621"
                           z3="6.34487"
                           zFract="0.2855477"/>
                     <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="4.27814"
                           xFract="0.50688863"
                           y3="4.18578"
                           yFract="0.4959455"
                           z3="4.2862"
                           zFract="0.19289829"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.24035"
                           xFract="0.50241114"
                           y3="4.22307"
                           yFract="0.50036374"
                           z3="8.44257"
                           zFract="0.37995365"/>
                     <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="6.37891"
                           xFract="0.75579502"
                           y3="6.33797"
                           yFract="0.75094431"
                           z3="4.24622"
                           zFract="0.19109901"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33283"
                           xFract="0.75033531"
                           y3="6.2902"
                           yFract="0.74528436"
                           z3="8.50017"
                           zFract="0.3825459"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a66" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a43" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" 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="2.09243"
                           xFract="0.24791825"
                           y3="0.00089"
                           yFract="0.00010545"
                           z3="4.20716"
                           zFract="0.18934113"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.19978"
                           xFract="0.49760427"
                           y3="4.2263"
                           yFract="0.50074645"
                           z3="6.35497"
                           zFract="0.28600225"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.34443"
                           xFract="0.75170972"
                           y3="4.21847"
                           yFract="0.49981872"
                           z3="8.4205"
                           zFract="0.3789604"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32926"
                           xFract="0.74991232"
                           y3="-0.00464"
                           yFract="-0.00054976"
                           z3="4.1845"
                           zFract="0.18832133"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00096"
                           xFract="0.00011374"
                           y3="2.11919"
                           yFract="0.25108886"
                           z3="4.18701"
                           zFract="0.18843429"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02554"
                           xFract="0.00302607"
                           y3="6.32877"
                           yFract="0.74985427"
                           z3="8.39891"
                           zFract="0.37798875"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.09506"
                           xFract="0.24822986"
                           y3="-0.01396"
                           yFract="-0.00165403"
                           z3="8.4488"
                           zFract="0.38023402"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1123"
                           xFract="0.25027251"
                           y3="2.11761"
                           yFract="0.25090166"
                           z3="6.35817"
                           zFract="0.28614626"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.19614"
                           xFract="0.49717299"
                           y3="2.12949"
                           yFract="0.25230924"
                           z3="8.41487"
                           zFract="0.37870702"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.32107"
                           xFract="0.74894194"
                           y3="4.22873"
                           yFract="0.50103436"
                           z3="4.20784"
                           zFract="0.18937174"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.00523"
                           xFract="-0.00061967"
                           y3="6.34675"
                           yFract="0.7519846"
                           z3="4.21162"
                           zFract="0.18954185"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.20133"
                           xFract="0.49778791"
                           y3="6.31062"
                           yFract="0.74770379"
                           z3="8.42503"
                           zFract="0.37916427"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.02476"
                           xFract="0.00293365"
                           y3="2.11799"
                           yFract="0.25094668"
                           z3="8.38523"
                           zFract="0.37737309"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10968"
                           xFract="0.24996209"
                           y3="6.31554"
                           yFract="0.74828673"
                           z3="6.31793"
                           zFract="0.28433528"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21437"
                           xFract="0.49933294"
                           y3="6.31706"
                           yFract="0.74846682"
                           z3="4.21217"
                           zFract="0.18956661"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21578"
                           xFract="0.4995"
                           y3="2.11503"
                           yFract="0.25059597"
                           z3="4.23292"
                           zFract="0.19050045"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.09144"
                           xFract="0.24780095"
                           y3="4.23089"
                           yFract="0.50129028"
                           z3="4.19923"
                           zFract="0.18898425"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.03456"
                           xFract="0.00409479"
                           y3="4.21941"
                           yFract="0.49993009"
                           z3="6.33133"
                           zFract="0.28493834"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10347"
                           xFract="0.2492263"
                           y3="4.23116"
                           yFract="0.50132227"
                           z3="8.53943"
                           zFract="0.38431278"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.03669"
                           xFract="0.00434716"
                           y3="0.00024"
                           yFract="0.00002844"
                           z3="6.33423"
                           zFract="0.28506886"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.35271"
                           xFract="0.75269076"
                           y3="-0.01227"
                           yFract="-0.00145379"
                           z3="8.47027"
                           zFract="0.38120027"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.33655"
                           xFract="0.75077607"
                           y3="2.10889"
                           yFract="0.24986848"
                           z3="6.32876"
                           zFract="0.28482268"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19286"
                           xFract="0.49678436"
                           y3="-0.00066"
                           yFract="-0.0000782"
                           z3="6.34556"
                           zFract="0.28557876"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33231"
                           xFract="0.7502737"
                           y3="6.32889"
                           yFract="0.74986848"
                           z3="6.34915"
                           zFract="0.28574032"/>
                     <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="0.02414"
                           xFract="0.00286019"
                           y3="2.09929"
                           yFract="0.24873104"
                           z3="6.28489"
                           zFract="0.28284833"/>
                     <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="2.13734"
                           xFract="0.25323934"
                           y3="0.00879"
                           yFract="0.00104147"
                           z3="6.31104"
                           zFract="0.2840252"/>
                     <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="0.00934"
                           xFract="0.00110664"
                           y3="0.02447"
                           yFract="0.00289929"
                           z3="4.09656"
                           zFract="0.18436364"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02845"
                           xFract="0.00337085"
                           y3="-0.00234"
                           yFract="-0.00027725"
                           z3="8.53303"
                           zFract="0.38402475"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.96519"
                           xFract="0.23284242"
                           y3="2.0212"
                           yFract="0.23947867"
                           z3="4.25738"
                           zFract="0.19160126"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09417"
                           xFract="0.24812441"
                           y3="2.0860"
                           yFract="0.2471564"
                           z3="8.46383"
                           zFract="0.38091044"/>
                     <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="4.18739"
                           xFract="0.49613626"
                           y3="2.16939"
                           yFract="0.25703673"
                           z3="6.33725"
                           zFract="0.28520477"/>
                     <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="6.30093"
                           xFract="0.74655569"
                           y3="0.01427"
                           yFract="0.00169076"
                           z3="6.29149"
                           zFract="0.28314536"/>
                     <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="4.21031"
                           xFract="0.4988519"
                           y3="0.04265"
                           yFract="0.00505332"
                           z3="4.21976"
                           zFract="0.18990819"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20619"
                           xFract="0.49836374"
                           y3="-0.00368"
                           yFract="-0.00043602"
                           z3="8.50454"
                           zFract="0.38274257"/>
                     <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="6.46778"
                           xFract="0.76632464"
                           y3="2.10003"
                           yFract="0.24881872"
                           z3="4.18882"
                           zFract="0.18851575"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34893"
                           xFract="0.75224289"
                           y3="2.14196"
                           yFract="0.25378673"
                           z3="8.50595"
                           zFract="0.38280603"/>
                     <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="0.03842"
                           xFract="0.00455213"
                           y3="6.33919"
                           yFract="0.75108886"
                           z3="6.32946"
                           zFract="0.28485419"/>
                     <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="2.22387"
                           xFract="0.26349171"
                           y3="4.20958"
                           yFract="0.4987654"
                           z3="6.21615"
                           zFract="0.27975473"/>
                     <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="-0.08692"
                           xFract="-0.01029858"
                           y3="4.23336"
                           yFract="0.50158294"
                           z3="4.21837"
                           zFract="0.18984563"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.02545"
                           xFract="-0.0030154"
                           y3="4.22788"
                           yFract="0.50093365"
                           z3="8.43394"
                           zFract="0.37956526"/>
                     <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="2.05468"
                           xFract="0.2434455"
                           y3="6.42324"
                           yFract="0.76104739"
                           z3="4.21277"
                           zFract="0.18959361"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10052"
                           xFract="0.24887678"
                           y3="6.36471"
                           yFract="0.75411256"
                           z3="8.43078"
                           zFract="0.37942304"/>
                     <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="4.18002"
                           xFract="0.49526303"
                           y3="6.27948"
                           yFract="0.74401422"
                           z3="6.34578"
                           zFract="0.28558866"/>
                     <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="6.19914"
                           xFract="0.73449526"
                           y3="4.2034"
                           yFract="0.49803318"
                           z3="6.34577"
                           zFract="0.28558821"/>
                     <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="4.28756"
                           xFract="0.50800474"
                           y3="4.17248"
                           yFract="0.49436967"
                           z3="4.29239"
                           zFract="0.19317687"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23222"
                           xFract="0.50144787"
                           y3="4.22428"
                           yFract="0.50050711"
                           z3="8.44015"
                           zFract="0.37984473"/>
                     <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="6.38231"
                           xFract="0.75619787"
                           y3="6.34367"
                           yFract="0.75161967"
                           z3="4.26137"
                           zFract="0.19178083"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33715"
                           xFract="0.75084716"
                           y3="6.2935"
                           yFract="0.74567536"
                           z3="8.49783"
                           zFract="0.38244059"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a66" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a43" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a55" 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 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" 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="2.08577"
                           xFract="0.24712915"
                           y3="0.00783"
                           yFract="0.00092773"
                           z3="4.21066"
                           zFract="0.18949865"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.20237"
                           xFract="0.49791114"
                           y3="4.22116"
                           yFract="0.50013744"
                           z3="6.34436"
                           zFract="0.28552475"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.34844"
                           xFract="0.75218483"
                           y3="4.21891"
                           yFract="0.49987085"
                           z3="8.42496"
                           zFract="0.37916112"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32519"
                           xFract="0.74943009"
                           y3="-0.00291"
                           yFract="-0.00034479"
                           z3="4.20125"
                           zFract="0.18907516"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="-0.00395"
                           xFract="-0.00046801"
                           y3="2.1113"
                           yFract="0.25015403"
                           z3="4.18942"
                           zFract="0.18854275"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02158"
                           xFract="0.00255687"
                           y3="6.33557"
                           yFract="0.75065995"
                           z3="8.40512"
                           zFract="0.37826823"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.08868"
                           xFract="0.24747393"
                           y3="-0.01076"
                           yFract="-0.00127488"
                           z3="8.46173"
                           zFract="0.38081593"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.11069"
                           xFract="0.25008175"
                           y3="2.12397"
                           yFract="0.25165521"
                           z3="6.35272"
                           zFract="0.28590099"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.19884"
                           xFract="0.49749289"
                           y3="2.1258"
                           yFract="0.25187204"
                           z3="8.42051"
                           zFract="0.37896085"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.31549"
                           xFract="0.74828081"
                           y3="4.22985"
                           yFract="0.50116706"
                           z3="4.21271"
                           zFract="0.18959091"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01106"
                           xFract="-0.00131043"
                           y3="6.35192"
                           yFract="0.75259716"
                           z3="4.21121"
                           zFract="0.1895234"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.20348"
                           xFract="0.49804265"
                           y3="6.31457"
                           yFract="0.7481718"
                           z3="8.42942"
                           zFract="0.37936184"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.02148"
                           xFract="0.00254502"
                           y3="2.11268"
                           yFract="0.25031754"
                           z3="8.38718"
                           zFract="0.37746085"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11107"
                           xFract="0.25012678"
                           y3="6.31411"
                           yFract="0.7481173"
                           z3="6.31435"
                           zFract="0.28417417"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2157"
                           xFract="0.49949052"
                           y3="6.31649"
                           yFract="0.74839929"
                           z3="4.21407"
                           zFract="0.18965212"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21531"
                           xFract="0.49944431"
                           y3="2.11442"
                           yFract="0.2505237"
                           z3="4.2375"
                           zFract="0.19070657"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.09136"
                           xFract="0.24779147"
                           y3="4.22742"
                           yFract="0.50087915"
                           z3="4.19095"
                           zFract="0.18861161"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.03871"
                           xFract="0.00458649"
                           y3="4.21803"
                           yFract="0.49976659"
                           z3="6.32326"
                           zFract="0.28457516"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09811"
                           xFract="0.24859123"
                           y3="4.23345"
                           yFract="0.5015936"
                           z3="8.55009"
                           zFract="0.38479253"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.03177"
                           xFract="0.00376422"
                           y3="0.00086"
                           yFract="0.0001019"
                           z3="6.33413"
                           zFract="0.28506436"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.35898"
                           xFract="0.75343365"
                           y3="-0.01169"
                           yFract="-0.00138507"
                           z3="8.4740"
                           zFract="0.38136814"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3366"
                           xFract="0.75078199"
                           y3="2.10175"
                           yFract="0.24902251"
                           z3="6.32897"
                           zFract="0.28483213"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20507"
                           xFract="0.49823104"
                           y3="-0.00149"
                           yFract="-0.00017654"
                           z3="6.34844"
                           zFract="0.28570837"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33502"
                           xFract="0.75059479"
                           y3="6.33406"
                           yFract="0.75048104"
                           z3="6.35772"
                           zFract="0.28612601"/>
                     <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="0.02329"
                           xFract="0.00275948"
                           y3="2.09586"
                           yFract="0.24832464"
                           z3="6.2804"
                           zFract="0.28264626"/>
                     <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="2.13558"
                           xFract="0.25303081"
                           y3="0.0063"
                           yFract="0.00074645"
                           z3="6.30983"
                           zFract="0.28397075"/>
                     <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="0.00526"
                           xFract="0.00062322"
                           y3="0.02206"
                           yFract="0.00261374"
                           z3="4.08216"
                           zFract="0.18371557"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02715"
                           xFract="0.00321682"
                           y3="-0.0021"
                           yFract="-0.00024882"
                           z3="8.54557"
                           zFract="0.38458911"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.93808"
                           xFract="0.22963033"
                           y3="2.01242"
                           yFract="0.23843839"
                           z3="4.2492"
                           zFract="0.19123312"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10058"
                           xFract="0.24888389"
                           y3="2.09176"
                           yFract="0.24783886"
                           z3="8.46537"
                           zFract="0.38097975"/>
                     <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="4.1887"
                           xFract="0.49629147"
                           y3="2.1679"
                           yFract="0.25686019"
                           z3="6.33961"
                           zFract="0.28531098"/>
                     <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="6.29992"
                           xFract="0.74643602"
                           y3="0.01589"
                           yFract="0.0018827"
                           z3="6.29684"
                           zFract="0.28338614"/>
                     <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="4.20867"
                           xFract="0.49865758"
                           y3="0.06269"
                           yFract="0.00742773"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21046"
                           xFract="0.49886967"
                           y3="-0.00279"
                           yFract="-0.00033057"
                           z3="8.50323"
                           zFract="0.38268362"/>
                     <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="6.49264"
                           xFract="0.76927014"
                           y3="2.10124"
                           yFract="0.24896209"
                           z3="4.18409"
                           zFract="0.18830288"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34726"
                           xFract="0.75204502"
                           y3="2.13928"
                           yFract="0.25346919"
                           z3="8.50112"
                           zFract="0.38258866"/>
                     <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="0.04052"
                           xFract="0.00480095"
                           y3="6.34412"
                           yFract="0.75167299"
                           z3="6.32503"
                           zFract="0.28465482"/>
                     <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="2.2447"
                           xFract="0.26595972"
                           y3="4.21345"
                           yFract="0.49922393"
                           z3="6.21122"
                           zFract="0.27953285"/>
                     <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="-0.07712"
                           xFract="-0.00913744"
                           y3="4.24004"
                           yFract="0.50237441"
                           z3="4.22862"
                           zFract="0.19030693"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01718"
                           xFract="-0.00203555"
                           y3="4.22553"
                           yFract="0.50065521"
                           z3="8.4132"
                           zFract="0.37863186"/>
                     <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="2.0594"
                           xFract="0.24400474"
                           y3="6.43112"
                           yFract="0.76198104"
                           z3="4.2100"
                           zFract="0.18946895"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10572"
                           xFract="0.24949289"
                           y3="6.35915"
                           yFract="0.75345379"
                           z3="8.42784"
                           zFract="0.37929073"/>
                     <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="4.18023"
                           xFract="0.49528791"
                           y3="6.28226"
                           yFract="0.7443436"
                           z3="6.34695"
                           zFract="0.28564131"/>
                     <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="6.17208"
                           xFract="0.7312891"
                           y3="4.20349"
                           yFract="0.49804384"
                           z3="6.3573"
                           zFract="0.28610711"/>
                     <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="4.28496"
                           xFract="0.50769668"
                           y3="4.15676"
                           yFract="0.49250711"
                           z3="4.28882"
                           zFract="0.1930162"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2191"
                           xFract="0.49989336"
                           y3="4.22385"
                           yFract="0.50045616"
                           z3="8.45003"
                           zFract="0.38028938"/>
                     <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="6.37423"
                           xFract="0.75524052"
                           y3="6.34646"
                           yFract="0.75195024"
                           z3="4.25854"
                           zFract="0.19165347"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33581"
                           xFract="0.75068839"
                           y3="6.29379"
                           yFract="0.74570972"
                           z3="8.49252"
                           zFract="0.38220162"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a66" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a43" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a55" 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 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" 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="2.08419"
                           xFract="0.24694194"
                           y3="0.00948"
                           yFract="0.00112322"
                           z3="4.21149"
                           zFract="0.189536"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.20298"
                           xFract="0.49798341"
                           y3="4.21994"
                           yFract="0.49999289"
                           z3="6.34184"
                           zFract="0.28541134"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.34939"
                           xFract="0.75229739"
                           y3="4.21902"
                           yFract="0.49988389"
                           z3="8.42602"
                           zFract="0.37920882"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32423"
                           xFract="0.74931635"
                           y3="-0.0025"
                           yFract="-0.00029621"
                           z3="4.20523"
                           zFract="0.18925428"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="-0.00511"
                           xFract="-0.00060545"
                           y3="2.10943"
                           yFract="0.24993246"
                           z3="4.18999"
                           zFract="0.18856841"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02064"
                           xFract="0.0024455"
                           y3="6.33718"
                           yFract="0.75085071"
                           z3="8.40659"
                           zFract="0.37833438"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.08717"
                           xFract="0.24729502"
                           y3="-0.0100"
                           yFract="-0.00118483"
                           z3="8.46479"
                           zFract="0.38095365"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.11031"
                           xFract="0.25003673"
                           y3="2.12548"
                           yFract="0.25183412"
                           z3="6.35143"
                           zFract="0.28584293"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.19947"
                           xFract="0.49756754"
                           y3="2.12492"
                           yFract="0.25176777"
                           z3="8.42185"
                           zFract="0.37902115"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.31417"
                           xFract="0.74812441"
                           y3="4.23011"
                           yFract="0.50119787"
                           z3="4.21387"
                           zFract="0.18964311"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01244"
                           xFract="-0.00147393"
                           y3="6.35314"
                           yFract="0.75274171"
                           z3="4.21111"
                           zFract="0.1895189"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.20399"
                           xFract="0.49810308"
                           y3="6.3155"
                           yFract="0.74828199"
                           z3="8.43046"
                           zFract="0.37940864"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0207"
                           xFract="0.00245261"
                           y3="2.11142"
                           yFract="0.25016825"
                           z3="8.38765"
                           zFract="0.377482"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11139"
                           xFract="0.25016469"
                           y3="6.31376"
                           yFract="0.74807583"
                           z3="6.3135"
                           zFract="0.28413591"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21601"
                           xFract="0.49952725"
                           y3="6.31636"
                           yFract="0.74838389"
                           z3="4.21453"
                           zFract="0.18967282"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21519"
                           xFract="0.49943009"
                           y3="2.11427"
                           yFract="0.25050592"
                           z3="4.23859"
                           zFract="0.19075563"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.09134"
                           xFract="0.2477891"
                           y3="4.2266"
                           yFract="0.50078199"
                           z3="4.18898"
                           zFract="0.18852295"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.03969"
                           xFract="0.00470261"
                           y3="4.21771"
                           yFract="0.49972867"
                           z3="6.32135"
                           zFract="0.2844892"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09684"
                           xFract="0.24844076"
                           y3="4.2340"
                           yFract="0.50165877"
                           z3="8.55261"
                           zFract="0.38490594"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0306"
                           xFract="0.00362559"
                           y3="0.0010"
                           yFract="0.00011848"
                           z3="6.33411"
                           zFract="0.28506346"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.36047"
                           xFract="0.75361019"
                           y3="-0.01155"
                           yFract="-0.00136848"
                           z3="8.47488"
                           zFract="0.38140774"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.33661"
                           xFract="0.75078318"
                           y3="2.10006"
                           yFract="0.24882227"
                           z3="6.32902"
                           zFract="0.28483438"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20797"
                           xFract="0.49857464"
                           y3="-0.00169"
                           yFract="-0.00020024"
                           z3="6.34912"
                           zFract="0.28573897"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33566"
                           xFract="0.75067062"
                           y3="6.33528"
                           yFract="0.75062559"
                           z3="6.35974"
                           zFract="0.28621692"/>
                     <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="0.02309"
                           xFract="0.00273578"
                           y3="2.09505"
                           yFract="0.24822867"
                           z3="6.27934"
                           zFract="0.28259856"/>
                     <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="2.13517"
                           xFract="0.25298223"
                           y3="0.00571"
                           yFract="0.00067654"
                           z3="6.30954"
                           zFract="0.2839577"/>
                     <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="0.0043"
                           xFract="0.00050948"
                           y3="0.02149"
                           yFract="0.00254621"
                           z3="4.07875"
                           zFract="0.18356211"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02684"
                           xFract="0.00318009"
                           y3="-0.00204"
                           yFract="-0.00024171"
                           z3="8.54854"
                           zFract="0.38472277"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.93166"
                           xFract="0.22886967"
                           y3="2.01034"
                           yFract="0.23819194"
                           z3="4.24726"
                           zFract="0.19114581"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10209"
                           xFract="0.2490628"
                           y3="2.09312"
                           yFract="0.2480"
                           z3="8.46573"
                           zFract="0.38099595"/>
                     <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="4.18901"
                           xFract="0.4963282"
                           y3="2.16755"
                           yFract="0.25681872"
                           z3="6.34017"
                           zFract="0.28533618"/>
                     <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="6.29968"
                           xFract="0.74640758"
                           y3="0.01627"
                           yFract="0.00192773"
                           z3="6.29811"
                           zFract="0.28344329"/>
                     <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="4.20828"
                           xFract="0.49861137"
                           y3="0.06743"
                           yFract="0.00798934"
                           z3="4.21981"
                           zFract="0.18991044"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21147"
                           xFract="0.49898934"
                           y3="-0.00258"
                           yFract="-0.00030569"
                           z3="8.50292"
                           zFract="0.38266967"/>
                     <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="6.49853"
                           xFract="0.76996801"
                           y3="2.10152"
                           yFract="0.24899526"
                           z3="4.18297"
                           zFract="0.18825248"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34686"
                           xFract="0.75199763"
                           y3="2.13864"
                           yFract="0.25339336"
                           z3="8.49997"
                           zFract="0.3825369"/>
                     <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="0.04101"
                           xFract="0.004859"
                           y3="6.34529"
                           yFract="0.75181161"
                           z3="6.32398"
                           zFract="0.28460756"/>
                     <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="2.24963"
                           xFract="0.26654384"
                           y3="4.21437"
                           yFract="0.49933294"
                           z3="6.21005"
                           zFract="0.2794802"/>
                     <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="-0.0748"
                           xFract="-0.00886256"
                           y3="4.24162"
                           yFract="0.50256161"
                           z3="4.23105"
                           zFract="0.19041629"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01522"
                           xFract="-0.00180332"
                           y3="4.22498"
                           yFract="0.50059005"
                           z3="8.40829"
                           zFract="0.37841089"/>
                     <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="2.06052"
                           xFract="0.24413744"
                           y3="6.43298"
                           yFract="0.76220142"
                           z3="4.20934"
                           zFract="0.18943924"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10695"
                           xFract="0.24963863"
                           y3="6.35783"
                           yFract="0.75329739"
                           z3="8.42714"
                           zFract="0.37925923"/>
                     <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="4.18028"
                           xFract="0.49529384"
                           y3="6.28292"
                           yFract="0.7444218"
                           z3="6.34723"
                           zFract="0.28565392"/>
                     <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="6.16567"
                           xFract="0.73052962"
                           y3="4.20351"
                           yFract="0.49804621"
                           z3="6.36003"
                           zFract="0.28622997"/>
                     <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="4.28434"
                           xFract="0.50762322"
                           y3="4.15304"
                           yFract="0.49206635"
                           z3="4.28798"
                           zFract="0.1929784"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21599"
                           xFract="0.49952488"
                           y3="4.22374"
                           yFract="0.50044313"
                           z3="8.45237"
                           zFract="0.38039469"/>
                     <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="6.37232"
                           xFract="0.75501422"
                           y3="6.34712"
                           yFract="0.75202844"
                           z3="4.25787"
                           zFract="0.19162331"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3355"
                           xFract="0.75065166"
                           y3="6.29386"
                           yFract="0.74571801"
                           z3="8.49126"
                           zFract="0.38214491"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a66" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a43" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a55" 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 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" 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="2.08104"
                           xFract="0.24656872"
                           y3="0.01276"
                           yFract="0.00151185"
                           z3="4.21315"
                           zFract="0.18961071"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2042"
                           xFract="0.49812796"
                           y3="4.21751"
                           yFract="0.49970498"
                           z3="6.33681"
                           zFract="0.28518497"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.35129"
                           xFract="0.75252251"
                           y3="4.21923"
                           yFract="0.49990877"
                           z3="8.42813"
                           zFract="0.37930378"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3223"
                           xFract="0.74908768"
                           y3="-0.00168"
                           yFract="-0.00019905"
                           z3="4.21317"
                           zFract="0.18961161"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="-0.00744"
                           xFract="-0.00088152"
                           y3="2.10569"
                           yFract="0.24948934"
                           z3="4.19114"
                           zFract="0.18862016"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01877"
                           xFract="0.00222393"
                           y3="6.34041"
                           yFract="0.75123341"
                           z3="8.40953"
                           zFract="0.3784667"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.08415"
                           xFract="0.2469372"
                           y3="-0.00849"
                           yFract="-0.00100592"
                           z3="8.47091"
                           zFract="0.38122907"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10955"
                           xFract="0.24994668"
                           y3="2.1285"
                           yFract="0.25219194"
                           z3="6.34885"
                           zFract="0.28572682"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.20075"
                           xFract="0.49771919"
                           y3="2.12317"
                           yFract="0.25156043"
                           z3="8.42452"
                           zFract="0.37914131"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.31153"
                           xFract="0.74781161"
                           y3="4.23064"
                           yFract="0.50126066"
                           z3="4.21618"
                           zFract="0.18974707"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01521"
                           xFract="-0.00180213"
                           y3="6.35559"
                           yFract="0.75303199"
                           z3="4.21092"
                           zFract="0.18951035"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.20501"
                           xFract="0.49822393"
                           y3="6.31737"
                           yFract="0.74850355"
                           z3="8.43254"
                           zFract="0.37950225"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.01915"
                           xFract="0.00226896"
                           y3="2.1089"
                           yFract="0.24986967"
                           z3="8.38857"
                           zFract="0.3775234"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11205"
                           xFract="0.25024289"
                           y3="6.31308"
                           yFract="0.74799526"
                           z3="6.3118"
                           zFract="0.28405941"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21664"
                           xFract="0.4996019"
                           y3="6.31609"
                           yFract="0.7483519"
                           z3="4.21543"
                           zFract="0.18971332"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21497"
                           xFract="0.49940403"
                           y3="2.11398"
                           yFract="0.25047156"
                           z3="4.24076"
                           zFract="0.19085329"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.0913"
                           xFract="0.24778436"
                           y3="4.22496"
                           yFract="0.50058768"
                           z3="4.18506"
                           zFract="0.18834653"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.04166"
                           xFract="0.00493602"
                           y3="4.21706"
                           yFract="0.49965166"
                           z3="6.31752"
                           zFract="0.28431683"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09429"
                           xFract="0.24813863"
                           y3="4.23509"
                           yFract="0.50178791"
                           z3="8.55767"
                           zFract="0.38513366"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02827"
                           xFract="0.00334953"
                           y3="0.0013"
                           yFract="0.00015403"
                           z3="6.33406"
                           zFract="0.28506121"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.36344"
                           xFract="0.75396209"
                           y3="-0.01127"
                           yFract="-0.00133531"
                           z3="8.47664"
                           zFract="0.38148695"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.33663"
                           xFract="0.75078555"
                           y3="2.09667"
                           yFract="0.24842062"
                           z3="6.32912"
                           zFract="0.28483888"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.21375"
                           xFract="0.49925948"
                           y3="-0.00208"
                           yFract="-0.00024645"
                           z3="6.35048"
                           zFract="0.28580018"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33694"
                           xFract="0.75082227"
                           y3="6.33773"
                           yFract="0.75091588"
                           z3="6.3638"
                           zFract="0.28639964"/>
                     <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="0.02269"
                           xFract="0.00268839"
                           y3="2.09343"
                           yFract="0.24803673"
                           z3="6.27722"
                           zFract="0.28250315"/>
                     <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="2.13433"
                           xFract="0.2528827"
                           y3="0.00453"
                           yFract="0.00053673"
                           z3="6.30897"
                           zFract="0.28393204"/>
                     <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="0.00236"
                           xFract="0.00027962"
                           y3="0.02035"
                           yFract="0.00241114"
                           z3="4.07192"
                           zFract="0.18325473"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02623"
                           xFract="0.00310782"
                           y3="-0.00193"
                           yFract="-0.00022867"
                           z3="8.55448"
                           zFract="0.3849901"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.91881"
                           xFract="0.22734716"
                           y3="2.00618"
                           yFract="0.23769905"
                           z3="4.24338"
                           zFract="0.1909712"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10513"
                           xFract="0.24942299"
                           y3="2.09585"
                           yFract="0.24832346"
                           z3="8.46646"
                           zFract="0.3810288"/>
                     <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="4.18964"
                           xFract="0.49640284"
                           y3="2.16684"
                           yFract="0.2567346"
                           z3="6.34129"
                           zFract="0.28538659"/>
                     <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="6.2992"
                           xFract="0.74635071"
                           y3="0.01703"
                           yFract="0.00201777"
                           z3="6.30064"
                           zFract="0.28355716"/>
                     <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="4.20751"
                           xFract="0.49852014"
                           y3="0.07693"
                           yFract="0.00911493"
                           z3="4.21982"
                           zFract="0.18991089"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21349"
                           xFract="0.49922867"
                           y3="-0.00216"
                           yFract="-0.00025592"
                           z3="8.50229"
                           zFract="0.38264131"/>
                     <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="6.5103"
                           xFract="0.77136256"
                           y3="2.10209"
                           yFract="0.2490628"
                           z3="4.18073"
                           zFract="0.18815167"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34607"
                           xFract="0.75190403"
                           y3="2.13737"
                           yFract="0.25324289"
                           z3="8.49768"
                           zFract="0.38243384"/>
                     <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="0.0420"
                           xFract="0.0049763"
                           y3="6.34763"
                           yFract="0.75208886"
                           z3="6.32188"
                           zFract="0.28451305"/>
                     <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="2.2595"
                           xFract="0.26771327"
                           y3="4.2162"
                           yFract="0.49954976"
                           z3="6.20772"
                           zFract="0.27937534"/>
                     <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="-0.07016"
                           xFract="-0.0083128"
                           y3="4.24479"
                           yFract="0.5029372"
                           z3="4.2359"
                           zFract="0.19063456"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0113"
                           xFract="-0.00133886"
                           y3="4.22387"
                           yFract="0.50045853"
                           z3="8.39846"
                           zFract="0.3779685"/>
                     <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="2.06277"
                           xFract="0.24440403"
                           y3="6.43671"
                           yFract="0.76264336"
                           z3="4.20803"
                           zFract="0.18938029"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10941"
                           xFract="0.24993009"
                           y3="6.3552"
                           yFract="0.75298578"
                           z3="8.42575"
                           zFract="0.37919667"/>
                     <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="4.18038"
                           xFract="0.49530569"
                           y3="6.28423"
                           yFract="0.74457701"
                           z3="6.34778"
                           zFract="0.28567867"/>
                     <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="6.15285"
                           xFract="0.72901066"
                           y3="4.20355"
                           yFract="0.49805095"
                           z3="6.36549"
                           zFract="0.2864757"/>
                     <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="4.28311"
                           xFract="0.50747749"
                           y3="4.14559"
                           yFract="0.49118365"
                           z3="4.28628"
                           zFract="0.19290189"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20978"
                           xFract="0.4987891"
                           y3="4.22354"
                           yFract="0.50041943"
                           z3="8.45705"
                           zFract="0.38060531"/>
                     <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="6.36849"
                           xFract="0.75456043"
                           y3="6.34843"
                           yFract="0.75218365"
                           z3="4.25653"
                           zFract="0.19156301"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33486"
                           xFract="0.75057583"
                           y3="6.29399"
                           yFract="0.74573341"
                           z3="8.48874"
                           zFract="0.3820315"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a66" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a43" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" 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="2.0822"
                           xFract="0.24670616"
                           y3="0.01155"
                           yFract="0.00136848"
                           z3="4.21254"
                           zFract="0.18958326"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.20375"
                           xFract="0.49807464"
                           y3="4.2184"
                           yFract="0.49981043"
                           z3="6.33867"
                           zFract="0.28526868"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.35059"
                           xFract="0.75243957"
                           y3="4.21915"
                           yFract="0.49989929"
                           z3="8.42735"
                           zFract="0.37926868"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32301"
                           xFract="0.7491718"
                           y3="-0.00198"
                           yFract="-0.0002346"
                           z3="4.21024"
                           zFract="0.18947975"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="-0.00658"
                           xFract="-0.00077962"
                           y3="2.10707"
                           yFract="0.24965284"
                           z3="4.19072"
                           zFract="0.18860126"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.01946"
                           xFract="0.00230569"
                           y3="6.33922"
                           yFract="0.75109242"
                           z3="8.40845"
                           zFract="0.37841809"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.08526"
                           xFract="0.24706872"
                           y3="-0.00905"
                           yFract="-0.00107227"
                           z3="8.46866"
                           zFract="0.38112781"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10983"
                           xFract="0.24997986"
                           y3="2.12739"
                           yFract="0.25206043"
                           z3="6.3498"
                           zFract="0.28576958"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.20028"
                           xFract="0.49766351"
                           y3="2.12382"
                           yFract="0.25163744"
                           z3="8.42353"
                           zFract="0.37909676"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.3125"
                           xFract="0.74792654"
                           y3="4.23045"
                           yFract="0.50123815"
                           z3="4.21533"
                           zFract="0.18970882"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01419"
                           xFract="-0.00168128"
                           y3="6.35469"
                           yFract="0.75292536"
                           z3="4.21099"
                           zFract="0.1895135"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.20463"
                           xFract="0.49817891"
                           y3="6.31668"
                           yFract="0.7484218"
                           z3="8.43177"
                           zFract="0.3794676"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.01972"
                           xFract="0.00233649"
                           y3="2.10983"
                           yFract="0.24997986"
                           z3="8.38823"
                           zFract="0.3775081"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11181"
                           xFract="0.25021445"
                           y3="6.31333"
                           yFract="0.74802488"
                           z3="6.31243"
                           zFract="0.28408776"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21641"
                           xFract="0.49957464"
                           y3="6.31619"
                           yFract="0.74836374"
                           z3="4.2151"
                           zFract="0.18969847"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21505"
                           xFract="0.49941351"
                           y3="2.11409"
                           yFract="0.2504846"
                           z3="4.23996"
                           zFract="0.19081728"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.09132"
                           xFract="0.24778673"
                           y3="4.22556"
                           yFract="0.50065877"
                           z3="4.18651"
                           zFract="0.18841179"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.04094"
                           xFract="0.00485071"
                           y3="4.2173"
                           yFract="0.49968009"
                           z3="6.31893"
                           zFract="0.28438029"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09523"
                           xFract="0.24825"
                           y3="4.23468"
                           yFract="0.50173934"
                           z3="8.5558"
                           zFract="0.3850495"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02913"
                           xFract="0.00345142"
                           y3="0.00119"
                           yFract="0.000141"
                           z3="6.33408"
                           zFract="0.28506211"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.36235"
                           xFract="0.75383294"
                           y3="-0.01137"
                           yFract="-0.00134716"
                           z3="8.47599"
                           zFract="0.3814577"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.33663"
                           xFract="0.75078555"
                           y3="2.09792"
                           yFract="0.24856872"
                           z3="6.32909"
                           zFract="0.28483753"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.21162"
                           xFract="0.49900711"
                           y3="-0.00194"
                           yFract="-0.00022986"
                           z3="6.34998"
                           zFract="0.28577768"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33647"
                           xFract="0.75076659"
                           y3="6.33683"
                           yFract="0.75080924"
                           z3="6.36231"
                           zFract="0.28633258"/>
                     <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="0.02284"
                           xFract="0.00270616"
                           y3="2.09403"
                           yFract="0.24810782"
                           z3="6.2780"
                           zFract="0.28253825"/>
                     <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="2.13464"
                           xFract="0.25291943"
                           y3="0.00496"
                           yFract="0.00058768"
                           z3="6.30918"
                           zFract="0.28394149"/>
                     <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="0.00307"
                           xFract="0.00036374"
                           y3="0.02077"
                           yFract="0.0024609"
                           z3="4.07444"
                           zFract="0.18336814"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02646"
                           xFract="0.00313507"
                           y3="-0.00197"
                           yFract="-0.00023341"
                           z3="8.55229"
                           zFract="0.38489154"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.92355"
                           xFract="0.22790877"
                           y3="2.00771"
                           yFract="0.23788033"
                           z3="4.24481"
                           zFract="0.19103555"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10401"
                           xFract="0.24929028"
                           y3="2.09484"
                           yFract="0.24820379"
                           z3="8.46619"
                           zFract="0.38101665"/>
                     <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="4.18941"
                           xFract="0.49637559"
                           y3="2.1671"
                           yFract="0.2567654"
                           z3="6.34088"
                           zFract="0.28536814"/>
                     <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="6.29938"
                           xFract="0.74637204"
                           y3="0.01675"
                           yFract="0.0019846"
                           z3="6.29971"
                           zFract="0.2835153"/>
                     <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="4.20779"
                           xFract="0.49855332"
                           y3="0.07343"
                           yFract="0.00870024"
                           z3="4.21982"
                           zFract="0.18991089"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21274"
                           xFract="0.49913981"
                           y3="-0.00231"
                           yFract="-0.0002737"
                           z3="8.50252"
                           zFract="0.38265167"/>
                     <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="6.50596"
                           xFract="0.77084834"
                           y3="2.10188"
                           yFract="0.24903791"
                           z3="4.18155"
                           zFract="0.18818857"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34636"
                           xFract="0.75193839"
                           y3="2.13784"
                           yFract="0.25329858"
                           z3="8.49852"
                           zFract="0.38247165"/>
                     <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="0.04164"
                           xFract="0.00493365"
                           y3="6.34677"
                           yFract="0.75198697"
                           z3="6.32266"
                           zFract="0.28454815"/>
                     <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="2.25586"
                           xFract="0.26728199"
                           y3="4.21552"
                           yFract="0.49946919"
                           z3="6.20858"
                           zFract="0.27941404"/>
                     <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="-0.07187"
                           xFract="-0.0085154"
                           y3="4.24362"
                           yFract="0.50279858"
                           z3="4.23411"
                           zFract="0.19055401"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01275"
                           xFract="-0.00151066"
                           y3="4.22428"
                           yFract="0.50050711"
                           z3="8.40209"
                           zFract="0.37813186"/>
                     <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="2.06194"
                           xFract="0.24430569"
                           y3="6.43534"
                           yFract="0.76248104"
                           z3="4.20851"
                           zFract="0.18940189"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1085"
                           xFract="0.24982227"
                           y3="6.35617"
                           yFract="0.75310071"
                           z3="8.42627"
                           zFract="0.37922007"/>
                     <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="4.18034"
                           xFract="0.49530095"
                           y3="6.28375"
                           yFract="0.74452014"
                           z3="6.34758"
                           zFract="0.28566967"/>
                     <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="6.15758"
                           xFract="0.72957109"
                           y3="4.20354"
                           yFract="0.49804976"
                           z3="6.36348"
                           zFract="0.28638524"/>
                     <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="4.28356"
                           xFract="0.50753081"
                           y3="4.14834"
                           yFract="0.49150948"
                           z3="4.28691"
                           zFract="0.19293024"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21207"
                           xFract="0.49906043"
                           y3="4.22362"
                           yFract="0.50042891"
                           z3="8.45532"
                           zFract="0.38052745"/>
                     <atom elementType="O"
                           id="a78"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3699"
                           xFract="0.75472749"
                           y3="6.34795"
                           yFract="0.75212678"
                           z3="4.25702"
                           zFract="0.19158506"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3351"
                           xFract="0.75060427"
                           y3="6.29394"
                           yFract="0.74572749"
                           z3="8.48967"
                           zFract="0.38207336"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a66" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a43" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" 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="2.08207"
                           xFract="0.24669076"
                           y3="0.01055"
                           yFract="0.00125"
                           z3="4.21869"
                           zFract="0.18986004"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.19623"
                           xFract="0.49718365"
                           y3="4.22172"
                           yFract="0.50020379"
                           z3="6.34326"
                           zFract="0.28547525"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3476"
                           xFract="0.75208531"
                           y3="4.22024"
                           yFract="0.50002844"
                           z3="8.42351"
                           zFract="0.37909586"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31731"
                           xFract="0.74849645"
                           y3="0.00196"
                           yFract="0.00023223"
                           z3="4.21576"
                           zFract="0.18972817"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="-0.00296"
                           xFract="-0.00035071"
                           y3="2.10253"
                           yFract="0.24911493"
                           z3="4.1878"
                           zFract="0.18846985"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02089"
                           xFract="0.00247512"
                           y3="6.3448"
                           yFract="0.75175355"
                           z3="8.40538"
                           zFract="0.37827993"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.08433"
                           xFract="0.24695853"
                           y3="-0.00647"
                           yFract="-0.00076659"
                           z3="8.47347"
                           zFract="0.38134428"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.11023"
                           xFract="0.25002725"
                           y3="2.12924"
                           yFract="0.25227962"
                           z3="6.3473"
                           zFract="0.28565707"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.20016"
                           xFract="0.49764929"
                           y3="2.12459"
                           yFract="0.25172867"
                           z3="8.42426"
                           zFract="0.37912961"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.3141"
                           xFract="0.74811611"
                           y3="4.2293"
                           yFract="0.5011019"
                           z3="4.22008"
                           zFract="0.18992259"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.0146"
                           xFract="-0.00172986"
                           y3="6.35905"
                           yFract="0.75344194"
                           z3="4.21046"
                           zFract="0.18948965"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.20304"
                           xFract="0.49799052"
                           y3="6.31604"
                           yFract="0.74834597"
                           z3="8.43088"
                           zFract="0.37942754"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0231"
                           xFract="0.00273697"
                           y3="2.10646"
                           yFract="0.24958057"
                           z3="8.38783"
                           zFract="0.3774901"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11443"
                           xFract="0.25052488"
                           y3="6.31606"
                           yFract="0.74834834"
                           z3="6.31574"
                           zFract="0.28423672"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21454"
                           xFract="0.49935308"
                           y3="6.32177"
                           yFract="0.74902488"
                           z3="4.21269"
                           zFract="0.18959001"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21386"
                           xFract="0.49927251"
                           y3="2.11198"
                           yFract="0.2502346"
                           z3="4.23896"
                           zFract="0.19077228"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.09741"
                           xFract="0.24850829"
                           y3="4.22309"
                           yFract="0.50036611"
                           z3="4.18712"
                           zFract="0.18843924"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.04355"
                           xFract="0.00515995"
                           y3="4.21718"
                           yFract="0.49966588"
                           z3="6.3171"
                           zFract="0.28429793"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.0950"
                           xFract="0.24822275"
                           y3="4.2351"
                           yFract="0.5017891"
                           z3="8.55681"
                           zFract="0.38509496"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02918"
                           xFract="0.00345735"
                           y3="0.00011"
                           yFract="0.00001303"
                           z3="6.33787"
                           zFract="0.28523267"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.36561"
                           xFract="0.75421919"
                           y3="-0.00991"
                           yFract="-0.00117417"
                           z3="8.48192"
                           zFract="0.38172457"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.33637"
                           xFract="0.75075474"
                           y3="2.10145"
                           yFract="0.24898697"
                           z3="6.32922"
                           zFract="0.28484338"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20706"
                           xFract="0.49846682"
                           y3="-0.00299"
                           yFract="-0.00035427"
                           z3="6.34985"
                           zFract="0.28577183"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34078"
                           xFract="0.75127725"
                           y3="6.33459"
                           yFract="0.75054384"
                           z3="6.36506"
                           zFract="0.28645635"/>
                     <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="0.02278"
                           xFract="0.00269905"
                           y3="2.08954"
                           yFract="0.24757583"
                           z3="6.27891"
                           zFract="0.28257921"/>
                     <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="2.13035"
                           xFract="0.25241114"
                           y3="0.00751"
                           yFract="0.00088981"
                           z3="6.30644"
                           zFract="0.28381818"/>
                     <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="-0.00648"
                           xFract="-0.00076777"
                           y3="0.01253"
                           yFract="0.0014846"
                           z3="4.07374"
                           zFract="0.18333663"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02529"
                           xFract="0.00299645"
                           y3="-0.00154"
                           yFract="-0.00018246"
                           z3="8.56632"
                           zFract="0.38552295"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.91439"
                           xFract="0.22682346"
                           y3="2.00759"
                           yFract="0.23786611"
                           z3="4.24198"
                           zFract="0.19090819"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10302"
                           xFract="0.24917299"
                           y3="2.09812"
                           yFract="0.24859242"
                           z3="8.46537"
                           zFract="0.38097975"/>
                     <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="4.18852"
                           xFract="0.49627014"
                           y3="2.16373"
                           yFract="0.25636611"
                           z3="6.34211"
                           zFract="0.28542349"/>
                     <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="6.30833"
                           xFract="0.74743246"
                           y3="0.01516"
                           yFract="0.00179621"
                           z3="6.30529"
                           zFract="0.28376643"/>
                     <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="4.20761"
                           xFract="0.49853199"
                           y3="0.0958"
                           yFract="0.01135071"
                           z3="4.22064"
                           zFract="0.18994779"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21437"
                           xFract="0.49933294"
                           y3="-0.00152"
                           yFract="-0.00018009"
                           z3="8.50426"
                           zFract="0.38272997"/>
                     <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="6.50536"
                           xFract="0.77077725"
                           y3="2.10584"
                           yFract="0.24950711"
                           z3="4.18537"
                           zFract="0.18836049"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34506"
                           xFract="0.75178436"
                           y3="2.13756"
                           yFract="0.2532654"
                           z3="8.49749"
                           zFract="0.38242529"/>
                     <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="0.04081"
                           xFract="0.00483531"
                           y3="6.35133"
                           yFract="0.75252725"
                           z3="6.32168"
                           zFract="0.28450405"/>
                     <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="2.26814"
                           xFract="0.26873697"
                           y3="4.21431"
                           yFract="0.49932583"
                           z3="6.20205"
                           zFract="0.27912016"/>
                     <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="-0.06921"
                           xFract="-0.00820024"
                           y3="4.2488"
                           yFract="0.50341232"
                           z3="4.24072"
                           zFract="0.19085149"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00461"
                           xFract="-0.00054621"
                           y3="4.22312"
                           yFract="0.50036967"
                           z3="8.38123"
                           zFract="0.37719307"/>
                     <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="2.07244"
                           xFract="0.24554976"
                           y3="6.43951"
                           yFract="0.76297512"
                           z3="4.20861"
                           zFract="0.18940639"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10713"
                           xFract="0.24965995"
                           y3="6.35385"
                           yFract="0.75282583"
                           z3="8.42825"
                           zFract="0.37930918"/>
                     <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="4.18411"
                           xFract="0.49574763"
                           y3="6.28295"
                           yFract="0.74442536"
                           z3="6.34624"
                           zFract="0.28560936"/>
                     <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="6.14773"
                           xFract="0.72840403"
                           y3="4.20317"
                           yFract="0.49800592"
                           z3="6.36651"
                           zFract="0.2865216"/>
                     <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="4.27996"
                           xFract="0.50710427"
                           y3="4.12954"
                           yFract="0.48928199"
                           z3="4.27899"
                           zFract="0.19257381"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20351"
                           xFract="0.49804621"
                           y3="4.2233"
                           yFract="0.500391"
                           z3="8.46414"
                           zFract="0.38092439"/>
                     <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="6.35411"
                           xFract="0.75285664"
                           y3="6.3454"
                           yFract="0.75182464"
                           z3="4.25727"
                           zFract="0.19159631"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33529"
                           xFract="0.75062678"
                           y3="6.29395"
                           yFract="0.74572867"
                           z3="8.49036"
                           zFract="0.38210441"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a66" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a43" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" 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="2.08201"
                           xFract="0.24668365"
                           y3="0.01001"
                           yFract="0.00118602"
                           z3="4.22203"
                           zFract="0.19001035"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.19215"
                           xFract="0.49670024"
                           y3="4.22352"
                           yFract="0.50041706"
                           z3="6.34574"
                           zFract="0.28558686"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.34598"
                           xFract="0.75189336"
                           y3="4.22083"
                           yFract="0.50009834"
                           z3="8.42143"
                           zFract="0.37900225"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31422"
                           xFract="0.74813033"
                           y3="0.00409"
                           yFract="0.0004846"
                           z3="4.21876"
                           zFract="0.18986319"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="-0.0010"
                           xFract="-0.00011848"
                           y3="2.10006"
                           yFract="0.24882227"
                           z3="4.18622"
                           zFract="0.18839874"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02166"
                           xFract="0.00256635"
                           y3="6.34783"
                           yFract="0.75211256"
                           z3="8.40372"
                           zFract="0.37820522"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.08382"
                           xFract="0.2468981"
                           y3="-0.00507"
                           yFract="-0.00060071"
                           z3="8.47608"
                           zFract="0.38146175"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.11045"
                           xFract="0.25005332"
                           y3="2.13025"
                           yFract="0.25239929"
                           z3="6.34595"
                           zFract="0.28559631"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.20009"
                           xFract="0.497641"
                           y3="2.1250"
                           yFract="0.25177725"
                           z3="8.42465"
                           zFract="0.37914716"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.31496"
                           xFract="0.74821801"
                           y3="4.22868"
                           yFract="0.50102844"
                           z3="4.22266"
                           zFract="0.1900387"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01483"
                           xFract="-0.00175711"
                           y3="6.36142"
                           yFract="0.75372275"
                           z3="4.21017"
                           zFract="0.1894766"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.20218"
                           xFract="0.49788863"
                           y3="6.31569"
                           yFract="0.7483045"
                           z3="8.4304"
                           zFract="0.37940594"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.02493"
                           xFract="0.00295379"
                           y3="2.10463"
                           yFract="0.24936374"
                           z3="8.38762"
                           zFract="0.37748065"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11585"
                           xFract="0.25069313"
                           y3="6.31754"
                           yFract="0.7485237"
                           z3="6.31753"
                           zFract="0.28431728"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21353"
                           xFract="0.49923341"
                           y3="6.32479"
                           yFract="0.7493827"
                           z3="4.21138"
                           zFract="0.18953105"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21322"
                           xFract="0.49919668"
                           y3="2.11084"
                           yFract="0.25009953"
                           z3="4.23841"
                           zFract="0.19074752"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.10071"
                           xFract="0.24889929"
                           y3="4.22175"
                           yFract="0.50020735"
                           z3="4.18746"
                           zFract="0.18845455"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.04496"
                           xFract="0.00532701"
                           y3="4.21712"
                           yFract="0.49965877"
                           z3="6.31611"
                           zFract="0.28425338"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09487"
                           xFract="0.24820735"
                           y3="4.23533"
                           yFract="0.50181635"
                           z3="8.55736"
                           zFract="0.38511971"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02921"
                           xFract="0.0034609"
                           y3="-0.00048"
                           yFract="-0.00005687"
                           z3="6.33992"
                           zFract="0.28532493"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.36737"
                           xFract="0.75442773"
                           y3="-0.00912"
                           yFract="-0.00108057"
                           z3="8.48514"
                           zFract="0.38186949"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.33623"
                           xFract="0.75073815"
                           y3="2.10337"
                           yFract="0.24921445"
                           z3="6.3293"
                           zFract="0.28484698"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.2046"
                           xFract="0.49817536"
                           y3="-0.00356"
                           yFract="-0.0004218"
                           z3="6.34978"
                           zFract="0.28576868"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34312"
                           xFract="0.7515545"
                           y3="6.33338"
                           yFract="0.75040047"
                           z3="6.36656"
                           zFract="0.28652385"/>
                     <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="0.02275"
                           xFract="0.0026955"
                           y3="2.0871"
                           yFract="0.24728673"
                           z3="6.2794"
                           zFract="0.28260126"/>
                     <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="2.12803"
                           xFract="0.25213626"
                           y3="0.00889"
                           yFract="0.00105332"
                           z3="6.30495"
                           zFract="0.28375113"/>
                     <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="-0.01165"
                           xFract="-0.00138033"
                           y3="0.00806"
                           yFract="0.00095498"
                           z3="4.07336"
                           zFract="0.18331953"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02465"
                           xFract="0.00292062"
                           y3="-0.0013"
                           yFract="-0.00015403"
                           z3="8.57392"
                           zFract="0.38586499"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.90943"
                           xFract="0.22623578"
                           y3="2.00753"
                           yFract="0.237859"
                           z3="4.24044"
                           zFract="0.19083888"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10249"
                           xFract="0.24911019"
                           y3="2.09989"
                           yFract="0.24880213"
                           z3="8.46492"
                           zFract="0.3809595"/>
                     <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="4.18804"
                           xFract="0.49621327"
                           y3="2.1619"
                           yFract="0.25614929"
                           z3="6.34278"
                           zFract="0.28545365"/>
                     <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="6.31318"
                           xFract="0.74800711"
                           y3="0.0143"
                           yFract="0.00169431"
                           z3="6.30831"
                           zFract="0.28390234"/>
                     <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="4.2075"
                           xFract="0.49851896"
                           y3="0.10792"
                           yFract="0.01278673"
                           z3="4.22108"
                           zFract="0.1899676"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21526"
                           xFract="0.49943839"
                           y3="-0.00108"
                           yFract="-0.00012796"
                           z3="8.5052"
                           zFract="0.38277228"/>
                     <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="6.50503"
                           xFract="0.77073815"
                           y3="2.10798"
                           yFract="0.24976066"
                           z3="4.18745"
                           zFract="0.1884541"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34435"
                           xFract="0.75170024"
                           y3="2.13741"
                           yFract="0.25324763"
                           z3="8.49694"
                           zFract="0.38240054"/>
                     <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="0.04037"
                           xFract="0.00478318"
                           y3="6.3538"
                           yFract="0.75281991"
                           z3="6.32115"
                           zFract="0.2844802"/>
                     <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="2.2748"
                           xFract="0.26952607"
                           y3="4.21366"
                           yFract="0.49924882"
                           z3="6.19852"
                           zFract="0.2789613"/>
                     <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="-0.06777"
                           xFract="-0.00802962"
                           y3="4.25161"
                           yFract="0.50374526"
                           z3="4.24431"
                           zFract="0.19101305"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0002"
                           xFract="-0.0000237"
                           y3="4.22249"
                           yFract="0.50029502"
                           z3="8.36993"
                           zFract="0.37668452"/>
                     <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="2.07813"
                           xFract="0.24622393"
                           y3="6.44177"
                           yFract="0.76324289"
                           z3="4.20866"
                           zFract="0.18940864"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10638"
                           xFract="0.24957109"
                           y3="6.35259"
                           yFract="0.75267654"
                           z3="8.42933"
                           zFract="0.37935779"/>
                     <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="4.18614"
                           xFract="0.49598815"
                           y3="6.28252"
                           yFract="0.74437441"
                           z3="6.34552"
                           zFract="0.28557696"/>
                     <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="6.14239"
                           xFract="0.72777133"
                           y3="4.20297"
                           yFract="0.49798223"
                           z3="6.36815"
                           zFract="0.28659541"/>
                     <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="4.27801"
                           xFract="0.50687322"
                           y3="4.11935"
                           yFract="0.48807464"
                           z3="4.27471"
                           zFract="0.19238119"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19887"
                           xFract="0.49749645"
                           y3="4.22313"
                           yFract="0.50037085"
                           z3="8.46891"
                           zFract="0.38113906"/>
                     <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="6.34556"
                           xFract="0.7518436"
                           y3="6.34402"
                           yFract="0.75166114"
                           z3="4.2574"
                           zFract="0.19160216"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33539"
                           xFract="0.75063863"
                           y3="6.29395"
                           yFract="0.74572867"
                           z3="8.49074"
                           zFract="0.38212151"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a66" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a43" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" 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="2.08207"
                           xFract="0.24669076"
                           y3="0.01179"
                           yFract="0.00139692"
                           z3="4.22225"
                           zFract="0.19002025"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.20216"
                           xFract="0.49788626"
                           y3="4.22003"
                           yFract="0.50000355"
                           z3="6.34555"
                           zFract="0.28557831"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.34449"
                           xFract="0.75171682"
                           y3="4.22109"
                           yFract="0.50012915"
                           z3="8.41722"
                           zFract="0.37881278"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31186"
                           xFract="0.74785071"
                           y3="0.00607"
                           yFract="0.00071919"
                           z3="4.21786"
                           zFract="0.18982268"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="-0.01479"
                           xFract="-0.00175237"
                           y3="2.10066"
                           yFract="0.24889336"
                           z3="4.18835"
                           zFract="0.1884946"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02285"
                           xFract="0.00270735"
                           y3="6.35073"
                           yFract="0.75245616"
                           z3="8.39935"
                           zFract="0.37800855"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.08709"
                           xFract="0.24728555"
                           y3="-0.00277"
                           yFract="-0.0003282"
                           z3="8.48258"
                           zFract="0.38175428"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10963"
                           xFract="0.24995616"
                           y3="2.13016"
                           yFract="0.25238863"
                           z3="6.34707"
                           zFract="0.28564671"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.19831"
                           xFract="0.49743009"
                           y3="2.12573"
                           yFract="0.25186374"
                           z3="8.42414"
                           zFract="0.37912421"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.31297"
                           xFract="0.74798223"
                           y3="4.22548"
                           yFract="0.50064929"
                           z3="4.22439"
                           zFract="0.19011656"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01573"
                           xFract="-0.00186374"
                           y3="6.36149"
                           yFract="0.75373104"
                           z3="4.21036"
                           zFract="0.18948515"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.20076"
                           xFract="0.49772038"
                           y3="6.3157"
                           yFract="0.74830569"
                           z3="8.43182"
                           zFract="0.37946985"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.02731"
                           xFract="0.00323578"
                           y3="2.10419"
                           yFract="0.24931161"
                           z3="8.38516"
                           zFract="0.37736994"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11477"
                           xFract="0.25056517"
                           y3="6.31987"
                           yFract="0.74879976"
                           z3="6.32175"
                           zFract="0.2845072"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21095"
                           xFract="0.49892773"
                           y3="6.32843"
                           yFract="0.74981398"
                           z3="4.20722"
                           zFract="0.18934383"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2129"
                           xFract="0.49915877"
                           y3="2.1161"
                           yFract="0.25072275"
                           z3="4.23667"
                           zFract="0.19066922"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.10735"
                           xFract="0.24968602"
                           y3="4.22188"
                           yFract="0.50022275"
                           z3="4.18664"
                           zFract="0.18841764"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.04767"
                           xFract="0.0056481"
                           y3="4.21582"
                           yFract="0.49950474"
                           z3="6.31228"
                           zFract="0.28408101"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09551"
                           xFract="0.24828318"
                           y3="4.23376"
                           yFract="0.50163033"
                           z3="8.55471"
                           zFract="0.38500045"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02935"
                           xFract="0.00347749"
                           y3="-0.00021"
                           yFract="-0.00002488"
                           z3="6.34555"
                           zFract="0.28557831"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.36554"
                           xFract="0.7542109"
                           y3="-0.00732"
                           yFract="-0.0008673"
                           z3="8.4907"
                           zFract="0.38211971"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.33623"
                           xFract="0.75073815"
                           y3="2.10726"
                           yFract="0.24967536"
                           z3="6.33106"
                           zFract="0.28492619"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20236"
                           xFract="0.49790995"
                           y3="-0.00213"
                           yFract="-0.00025237"
                           z3="6.35315"
                           zFract="0.28592034"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34662"
                           xFract="0.75196919"
                           y3="6.32999"
                           yFract="0.74999882"
                           z3="6.36704"
                           zFract="0.28654545"/>
                     <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="0.0251"
                           xFract="0.00297393"
                           y3="2.08177"
                           yFract="0.24665521"
                           z3="6.27812"
                           zFract="0.28254365"/>
                     <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="2.12235"
                           xFract="0.25146327"
                           y3="0.01012"
                           yFract="0.00119905"
                           z3="6.29948"
                           zFract="0.28350495"/>
                     <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="-0.0184"
                           xFract="-0.00218009"
                           y3="0.00366"
                           yFract="0.00043365"
                           z3="4.07557"
                           zFract="0.18341899"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02696"
                           xFract="0.00319431"
                           y3="-0.00083"
                           yFract="-0.00009834"
                           z3="8.58937"
                           zFract="0.38656031"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.91697"
                           xFract="0.22712915"
                           y3="2.00548"
                           yFract="0.23761611"
                           z3="4.24121"
                           zFract="0.19087354"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1007"
                           xFract="0.2488981"
                           y3="2.09876"
                           yFract="0.24866825"
                           z3="8.46316"
                           zFract="0.38088029"/>
                     <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="4.18515"
                           xFract="0.49587085"
                           y3="2.16262"
                           yFract="0.2562346"
                           z3="6.34401"
                           zFract="0.285509"/>
                     <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="6.31931"
                           xFract="0.74873341"
                           y3="0.01184"
                           yFract="0.00140284"
                           z3="6.31209"
                           zFract="0.28407246"/>
                     <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="4.20797"
                           xFract="0.49857464"
                           y3="0.12642"
                           yFract="0.01497867"
                           z3="4.2251"
                           zFract="0.19014851"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21235"
                           xFract="0.4990936"
                           y3="-0.0023"
                           yFract="-0.00027251"
                           z3="8.50533"
                           zFract="0.38277813"/>
                     <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="6.5037"
                           xFract="0.77058057"
                           y3="2.11041"
                           yFract="0.25004858"
                           z3="4.19134"
                           zFract="0.18862916"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34552"
                           xFract="0.75183886"
                           y3="2.14148"
                           yFract="0.25372986"
                           z3="8.49824"
                           zFract="0.38245905"/>
                     <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="0.04323"
                           xFract="0.00512204"
                           y3="6.35687"
                           yFract="0.75318365"
                           z3="6.3181"
                           zFract="0.28434293"/>
                     <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="2.26529"
                           xFract="0.26839929"
                           y3="4.21471"
                           yFract="0.49937322"
                           z3="6.19554"
                           zFract="0.27882718"/>
                     <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="-0.0690"
                           xFract="-0.00817536"
                           y3="4.25601"
                           yFract="0.50426659"
                           z3="4.24735"
                           zFract="0.19114986"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0040"
                           xFract="0.00047393"
                           y3="4.22332"
                           yFract="0.50039336"
                           z3="8.35628"
                           zFract="0.37607021"/>
                     <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="2.09164"
                           xFract="0.24782464"
                           y3="6.44234"
                           yFract="0.76331043"
                           z3="4.21279"
                           zFract="0.18959451"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10425"
                           xFract="0.24931872"
                           y3="6.35556"
                           yFract="0.75302844"
                           z3="8.43044"
                           zFract="0.37940774"/>
                     <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="4.18486"
                           xFract="0.49583649"
                           y3="6.28223"
                           yFract="0.74434005"
                           z3="6.34264"
                           zFract="0.28544734"/>
                     <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="6.13879"
                           xFract="0.72734479"
                           y3="4.20498"
                           yFract="0.49822038"
                           z3="6.3659"
                           zFract="0.28649415"/>
                     <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="4.27885"
                           xFract="0.50697275"
                           y3="4.10289"
                           yFract="0.48612441"
                           z3="4.2710"
                           zFract="0.19221422"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19457"
                           xFract="0.49698697"
                           y3="4.2256"
                           yFract="0.50066351"
                           z3="8.47435"
                           zFract="0.38138389"/>
                     <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="6.32977"
                           xFract="0.74997275"
                           y3="6.34079"
                           yFract="0.75127844"
                           z3="4.2595"
                           zFract="0.19169667"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33669"
                           xFract="0.75079265"
                           y3="6.29192"
                           yFract="0.74548815"
                           z3="8.49461"
                           zFract="0.38229568"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a66" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a43" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" 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="2.08206"
                           xFract="0.24668957"
                           y3="0.01152"
                           yFract="0.00136493"
                           z3="4.22222"
                           zFract="0.1900189"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.20068"
                           xFract="0.4977109"
                           y3="4.22054"
                           yFract="0.50006398"
                           z3="6.34558"
                           zFract="0.28557966"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.34471"
                           xFract="0.75174289"
                           y3="4.22105"
                           yFract="0.50012441"
                           z3="8.41784"
                           zFract="0.37884068"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31221"
                           xFract="0.74789218"
                           y3="0.00578"
                           yFract="0.00068483"
                           z3="4.21799"
                           zFract="0.18982853"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="-0.01275"
                           xFract="-0.00151066"
                           y3="2.10058"
                           yFract="0.24888389"
                           z3="4.18803"
                           zFract="0.1884802"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02268"
                           xFract="0.0026872"
                           y3="6.3503"
                           yFract="0.75240521"
                           z3="8.4000"
                           zFract="0.3780378"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.0866"
                           xFract="0.24722749"
                           y3="-0.00311"
                           yFract="-0.00036848"
                           z3="8.48162"
                           zFract="0.38171107"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10975"
                           xFract="0.24997038"
                           y3="2.13018"
                           yFract="0.252391"
                           z3="6.34691"
                           zFract="0.28563951"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.19858"
                           xFract="0.49746209"
                           y3="2.12563"
                           yFract="0.2518519"
                           z3="8.42422"
                           zFract="0.37912781"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.31326"
                           xFract="0.74801659"
                           y3="4.22595"
                           yFract="0.50070498"
                           z3="4.22414"
                           zFract="0.19010531"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01559"
                           xFract="-0.00184716"
                           y3="6.36148"
                           yFract="0.75372986"
                           z3="4.21034"
                           zFract="0.18948425"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.20097"
                           xFract="0.49774526"
                           y3="6.3157"
                           yFract="0.74830569"
                           z3="8.43161"
                           zFract="0.3794604"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.02696"
                           xFract="0.00319431"
                           y3="2.10425"
                           yFract="0.24931872"
                           z3="8.38552"
                           zFract="0.37738614"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11493"
                           xFract="0.25058412"
                           y3="6.31952"
                           yFract="0.74875829"
                           z3="6.32113"
                           zFract="0.2844793"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21133"
                           xFract="0.49897275"
                           y3="6.32789"
                           yFract="0.74975"
                           z3="4.20784"
                           zFract="0.18937174"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21295"
                           xFract="0.49916469"
                           y3="2.11532"
                           yFract="0.25063033"
                           z3="4.23693"
                           zFract="0.19068092"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.10637"
                           xFract="0.24956991"
                           y3="4.22186"
                           yFract="0.50022038"
                           z3="4.18676"
                           zFract="0.18842304"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.04727"
                           xFract="0.00560071"
                           y3="4.21601"
                           yFract="0.49952725"
                           z3="6.31285"
                           zFract="0.28410666"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09541"
                           xFract="0.24827133"
                           y3="4.23399"
                           yFract="0.50165758"
                           z3="8.5551"
                           zFract="0.385018"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02933"
                           xFract="0.00347512"
                           y3="-0.00025"
                           yFract="-0.00002962"
                           z3="6.34472"
                           zFract="0.28554095"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.36581"
                           xFract="0.75424289"
                           y3="-0.00759"
                           yFract="-0.00089929"
                           z3="8.48988"
                           zFract="0.38208281"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.33623"
                           xFract="0.75073815"
                           y3="2.10668"
                           yFract="0.24960664"
                           z3="6.3308"
                           zFract="0.28491449"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20269"
                           xFract="0.49794905"
                           y3="-0.00234"
                           yFract="-0.00027725"
                           z3="6.35265"
                           zFract="0.28589784"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3461"
                           xFract="0.75190758"
                           y3="6.33049"
                           yFract="0.75005806"
                           z3="6.36697"
                           zFract="0.2865423"/>
                     <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="0.02475"
                           xFract="0.00293246"
                           y3="2.08256"
                           yFract="0.24674882"
                           z3="6.27831"
                           zFract="0.28255221"/>
                     <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="2.12319"
                           xFract="0.2515628"
                           y3="0.00994"
                           yFract="0.00117773"
                           z3="6.30029"
                           zFract="0.2835414"/>
                     <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="-0.0174"
                           xFract="-0.00206161"
                           y3="0.00431"
                           yFract="0.00051066"
                           z3="4.07525"
                           zFract="0.18340459"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02662"
                           xFract="0.00315403"
                           y3="-0.0009"
                           yFract="-0.00010664"
                           z3="8.58708"
                           zFract="0.38645725"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.91585"
                           xFract="0.22699645"
                           y3="2.00579"
                           yFract="0.23765284"
                           z3="4.24109"
                           zFract="0.19086814"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10097"
                           xFract="0.24893009"
                           y3="2.09893"
                           yFract="0.24868839"
                           z3="8.46342"
                           zFract="0.38089199"/>
                     <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="4.18558"
                           xFract="0.4959218"
                           y3="2.16251"
                           yFract="0.25622156"
                           z3="6.34383"
                           zFract="0.2855009"/>
                     <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="6.3184"
                           xFract="0.74862559"
                           y3="0.0122"
                           yFract="0.0014455"
                           z3="6.31153"
                           zFract="0.28404725"/>
                     <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="4.2079"
                           xFract="0.49856635"
                           y3="0.12368"
                           yFract="0.01465403"
                           z3="4.2245"
                           zFract="0.19012151"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21278"
                           xFract="0.49914455"
                           y3="-0.00212"
                           yFract="-0.00025118"
                           z3="8.50531"
                           zFract="0.38277723"/>
                     <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="6.5039"
                           xFract="0.77060427"
                           y3="2.11005"
                           yFract="0.25000592"
                           z3="4.19076"
                           zFract="0.18860306"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34535"
                           xFract="0.75181872"
                           y3="2.14088"
                           yFract="0.25365877"
                           z3="8.49805"
                           zFract="0.3824505"/>
                     <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="0.04281"
                           xFract="0.00507227"
                           y3="6.35642"
                           yFract="0.75313033"
                           z3="6.31855"
                           zFract="0.28436319"/>
                     <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="2.2667"
                           xFract="0.26856635"
                           y3="4.21456"
                           yFract="0.49935545"
                           z3="6.19598"
                           zFract="0.27884698"/>
                     <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="-0.06882"
                           xFract="-0.00815403"
                           y3="4.25536"
                           yFract="0.50418957"
                           z3="4.2469"
                           zFract="0.19112961"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00338"
                           xFract="0.00040047"
                           y3="4.2232"
                           yFract="0.50037915"
                           z3="8.35829"
                           zFract="0.37616067"/>
                     <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="2.08964"
                           xFract="0.24758768"
                           y3="6.44226"
                           yFract="0.76330095"
                           z3="4.21218"
                           zFract="0.18956706"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10457"
                           xFract="0.24935664"
                           y3="6.35512"
                           yFract="0.7529763"
                           z3="8.43028"
                           zFract="0.37940054"/>
                     <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="4.18505"
                           xFract="0.495859"
                           y3="6.28227"
                           yFract="0.74434479"
                           z3="6.34306"
                           zFract="0.28546625"/>
                     <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="6.13933"
                           xFract="0.72740877"
                           y3="4.20468"
                           yFract="0.49818483"
                           z3="6.36624"
                           zFract="0.28650945"/>
                     <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="4.27873"
                           xFract="0.50695853"
                           y3="4.10533"
                           yFract="0.48641351"
                           z3="4.27155"
                           zFract="0.19223897"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19521"
                           xFract="0.4970628"
                           y3="4.22524"
                           yFract="0.50062085"
                           z3="8.47355"
                           zFract="0.38134788"/>
                     <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="6.3321"
                           xFract="0.75024882"
                           y3="6.34126"
                           yFract="0.75133412"
                           z3="4.25919"
                           zFract="0.19168272"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3365"
                           xFract="0.75077014"
                           y3="6.29222"
                           yFract="0.7455237"
                           z3="8.49404"
                           zFract="0.38227003"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a66" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a43" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" 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="2.0831"
                           xFract="0.2468128"
                           y3="0.01411"
                           yFract="0.0016718"
                           z3="4.21966"
                           zFract="0.18990369"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.19316"
                           xFract="0.49681991"
                           y3="4.21928"
                           yFract="0.49991469"
                           z3="6.34178"
                           zFract="0.28540864"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.34595"
                           xFract="0.75188981"
                           y3="4.22221"
                           yFract="0.50026185"
                           z3="8.41706"
                           zFract="0.37880558"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31042"
                           xFract="0.74768009"
                           y3="0.00473"
                           yFract="0.00056043"
                           z3="4.21666"
                           zFract="0.18976868"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="-0.00604"
                           xFract="-0.00071564"
                           y3="2.1019"
                           yFract="0.24904028"
                           z3="4.19182"
                           zFract="0.18865077"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02278"
                           xFract="0.00269905"
                           y3="6.35219"
                           yFract="0.75262915"
                           z3="8.39805"
                           zFract="0.37795005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.08834"
                           xFract="0.24743365"
                           y3="-0.00192"
                           yFract="-0.00022749"
                           z3="8.48872"
                           zFract="0.3820306"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10839"
                           xFract="0.24980924"
                           y3="2.1300"
                           yFract="0.25236967"
                           z3="6.34818"
                           zFract="0.28569667"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.1961"
                           xFract="0.49716825"
                           y3="2.12772"
                           yFract="0.25209953"
                           z3="8.42439"
                           zFract="0.37913546"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.31014"
                           xFract="0.74764692"
                           y3="4.2247"
                           yFract="0.50055687"
                           z3="4.22175"
                           zFract="0.18999775"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01683"
                           xFract="-0.00199408"
                           y3="6.35981"
                           yFract="0.75353199"
                           z3="4.21124"
                           zFract="0.18952475"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.20008"
                           xFract="0.49763981"
                           y3="6.31505"
                           yFract="0.74822867"
                           z3="8.43313"
                           zFract="0.3795288"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0272"
                           xFract="0.00322275"
                           y3="2.10518"
                           yFract="0.24942891"
                           z3="8.38362"
                           zFract="0.37730063"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11421"
                           xFract="0.25049882"
                           y3="6.3197"
                           yFract="0.74877962"
                           z3="6.32423"
                           zFract="0.28461881"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20884"
                           xFract="0.49867773"
                           y3="6.32991"
                           yFract="0.74998934"
                           z3="4.20607"
                           zFract="0.18929208"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21204"
                           xFract="0.49905687"
                           y3="2.11915"
                           yFract="0.25108412"
                           z3="4.23556"
                           zFract="0.19061926"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1107"
                           xFract="0.25008294"
                           y3="4.22265"
                           yFract="0.50031398"
                           z3="4.18535"
                           zFract="0.18835959"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.05089"
                           xFract="0.00602962"
                           y3="4.21448"
                           yFract="0.49934597"
                           z3="6.30707"
                           zFract="0.28384653"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09622"
                           xFract="0.2483673"
                           y3="4.23293"
                           yFract="0.50153199"
                           z3="8.55031"
                           zFract="0.38480243"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02878"
                           xFract="0.00340995"
                           y3="-0.00006"
                           yFract="-0.00000711"
                           z3="6.35083"
                           zFract="0.28581593"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3639"
                           xFract="0.75401659"
                           y3="-0.00654"
                           yFract="-0.00077488"
                           z3="8.49396"
                           zFract="0.38226643"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.33646"
                           xFract="0.7507654"
                           y3="2.10595"
                           yFract="0.24952014"
                           z3="6.33517"
                           zFract="0.28511116"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20343"
                           xFract="0.49803673"
                           y3="-0.00108"
                           yFract="-0.00012796"
                           z3="6.35564"
                           zFract="0.2860324"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34707"
                           xFract="0.75202251"
                           y3="6.3304"
                           yFract="0.75004739"
                           z3="6.36824"
                           zFract="0.28659946"/>
                     <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="0.0248"
                           xFract="0.00293839"
                           y3="2.07703"
                           yFract="0.2460936"
                           z3="6.27549"
                           zFract="0.28242529"/>
                     <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="2.11814"
                           xFract="0.25096445"
                           y3="0.00981"
                           yFract="0.00116232"
                           z3="6.29526"
                           zFract="0.28331503"/>
                     <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="-0.02141"
                           xFract="-0.00253673"
                           y3="0.00342"
                           yFract="0.00040521"
                           z3="4.07577"
                           zFract="0.18342799"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0301"
                           xFract="0.00356635"
                           y3="-0.00006"
                           yFract="-0.00000711"
                           z3="8.60087"
                           zFract="0.38707786"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.91602"
                           xFract="0.22701659"
                           y3="2.00404"
                           yFract="0.2374455"
                           z3="4.24273"
                           zFract="0.19094194"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1008"
                           xFract="0.24890995"
                           y3="2.09492"
                           yFract="0.24821327"
                           z3="8.46212"
                           zFract="0.38083348"/>
                     <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="4.1846"
                           xFract="0.49580569"
                           y3="2.16501"
                           yFract="0.25651777"
                           z3="6.34712"
                           zFract="0.28564896"/>
                     <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="6.3213"
                           xFract="0.74896919"
                           y3="0.01123"
                           yFract="0.00133057"
                           z3="6.31442"
                           zFract="0.28417732"/>
                     <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="4.2097"
                           xFract="0.49877962"
                           y3="0.13812"
                           yFract="0.01636493"
                           z3="4.23104"
                           zFract="0.19041584"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20958"
                           xFract="0.4987654"
                           y3="-0.00267"
                           yFract="-0.00031635"
                           z3="8.50455"
                           zFract="0.38274302"/>
                     <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="6.49594"
                           xFract="0.76966114"
                           y3="2.11063"
                           yFract="0.25007464"
                           z3="4.19247"
                           zFract="0.18868002"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34648"
                           xFract="0.75195261"
                           y3="2.14508"
                           yFract="0.2541564"
                           z3="8.49891"
                           zFract="0.3824892"/>
                     <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="0.04474"
                           xFract="0.00530095"
                           y3="6.35978"
                           yFract="0.75352844"
                           z3="6.31417"
                           zFract="0.28416607"/>
                     <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="2.25855"
                           xFract="0.26760071"
                           y3="4.21621"
                           yFract="0.49955095"
                           z3="6.19678"
                           zFract="0.27888299"/>
                     <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="-0.07304"
                           xFract="-0.00865403"
                           y3="4.25837"
                           yFract="0.50454621"
                           z3="4.24641"
                           zFract="0.19110756"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00456"
                           xFract="0.00054028"
                           y3="4.22438"
                           yFract="0.50051896"
                           z3="8.35077"
                           zFract="0.37582223"/>
                     <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="2.10002"
                           xFract="0.24881754"
                           y3="6.44236"
                           yFract="0.7633128"
                           z3="4.21368"
                           zFract="0.18963456"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10376"
                           xFract="0.24926066"
                           y3="6.36113"
                           yFract="0.75368839"
                           z3="8.43087"
                           zFract="0.37942709"/>
                     <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="4.18304"
                           xFract="0.49562085"
                           y3="6.28152"
                           yFract="0.74425592"
                           z3="6.3407"
                           zFract="0.28536004"/>
                     <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="6.14748"
                           xFract="0.72837441"
                           y3="4.20614"
                           yFract="0.49835782"
                           z3="6.36199"
                           zFract="0.28631818"/>
                     <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="4.28222"
                           xFract="0.50737204"
                           y3="4.09521"
                           yFract="0.48521445"
                           z3="4.27118"
                           zFract="0.19222232"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.1946"
                           xFract="0.49699052"
                           y3="4.22703"
                           yFract="0.50083294"
                           z3="8.47572"
                           zFract="0.38144554"/>
                     <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="6.32063"
                           xFract="0.74888981"
                           y3="6.33954"
                           yFract="0.75113033"
                           z3="4.25982"
                           zFract="0.19171107"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33735"
                           xFract="0.75087085"
                           y3="6.29027"
                           yFract="0.74529265"
                           z3="8.49714"
                           zFract="0.38240954"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a43" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" 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="2.08299"
                           xFract="0.24679976"
                           y3="0.01384"
                           yFract="0.00163981"
                           z3="4.21993"
                           zFract="0.18991584"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.19396"
                           xFract="0.49691469"
                           y3="4.21941"
                           yFract="0.49993009"
                           z3="6.34218"
                           zFract="0.28542664"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.34582"
                           xFract="0.75187441"
                           y3="4.22209"
                           yFract="0.50024763"
                           z3="8.41714"
                           zFract="0.37880918"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31061"
                           xFract="0.74770261"
                           y3="0.00484"
                           yFract="0.00057346"
                           z3="4.2168"
                           zFract="0.18977498"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="-0.00676"
                           xFract="-0.00080095"
                           y3="2.10176"
                           yFract="0.2490237"
                           z3="4.19142"
                           zFract="0.18863276"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02277"
                           xFract="0.00269787"
                           y3="6.35199"
                           yFract="0.75260545"
                           z3="8.39826"
                           zFract="0.3779595"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.08816"
                           xFract="0.24741232"
                           y3="-0.00204"
                           yFract="-0.00024171"
                           z3="8.48797"
                           zFract="0.38199685"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10854"
                           xFract="0.24982701"
                           y3="2.13002"
                           yFract="0.25237204"
                           z3="6.34804"
                           zFract="0.28569037"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.19636"
                           xFract="0.49719905"
                           y3="2.1275"
                           yFract="0.25207346"
                           z3="8.42437"
                           zFract="0.37913456"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.31047"
                           xFract="0.74768602"
                           y3="4.22483"
                           yFract="0.50057227"
                           z3="4.2220"
                           zFract="0.190009"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.0167"
                           xFract="-0.00197867"
                           y3="6.35999"
                           yFract="0.75355332"
                           z3="4.21115"
                           zFract="0.1895207"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.20018"
                           xFract="0.49765166"
                           y3="6.31512"
                           yFract="0.74823697"
                           z3="8.43297"
                           zFract="0.3795216"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.02717"
                           xFract="0.00321919"
                           y3="2.10508"
                           yFract="0.24941706"
                           z3="8.38382"
                           zFract="0.37730963"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11429"
                           xFract="0.25050829"
                           y3="6.31968"
                           yFract="0.74877725"
                           z3="6.3239"
                           zFract="0.28460396"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20911"
                           xFract="0.49870972"
                           y3="6.3297"
                           yFract="0.74996445"
                           z3="4.20625"
                           zFract="0.18930018"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21213"
                           xFract="0.49906754"
                           y3="2.11874"
                           yFract="0.25103555"
                           z3="4.23571"
                           zFract="0.19062601"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.11024"
                           xFract="0.25002844"
                           y3="4.22256"
                           yFract="0.50030332"
                           z3="4.1855"
                           zFract="0.18836634"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0505"
                           xFract="0.00598341"
                           y3="4.21465"
                           yFract="0.49936611"
                           z3="6.30769"
                           zFract="0.28387444"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09613"
                           xFract="0.24835664"
                           y3="4.23304"
                           yFract="0.50154502"
                           z3="8.55082"
                           zFract="0.38482538"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02884"
                           xFract="0.00341706"
                           y3="-0.00008"
                           yFract="-0.00000948"
                           z3="6.35018"
                           zFract="0.28578668"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3641"
                           xFract="0.75404028"
                           y3="-0.00665"
                           yFract="-0.00078791"
                           z3="8.49352"
                           zFract="0.38224662"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.33644"
                           xFract="0.75076303"
                           y3="2.10603"
                           yFract="0.24952962"
                           z3="6.33471"
                           zFract="0.28509046"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20335"
                           xFract="0.49802725"
                           y3="-0.00121"
                           yFract="-0.00014336"
                           z3="6.35532"
                           zFract="0.286018"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34697"
                           xFract="0.75201066"
                           y3="6.33041"
                           yFract="0.75004858"
                           z3="6.36811"
                           zFract="0.28659361"/>
                     <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="0.0248"
                           xFract="0.00293839"
                           y3="2.07762"
                           yFract="0.24616351"
                           z3="6.27578"
                           zFract="0.28243834"/>
                     <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="2.11867"
                           xFract="0.25102725"
                           y3="0.00982"
                           yFract="0.00116351"
                           z3="6.29579"
                           zFract="0.28333888"/>
                     <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="-0.02099"
                           xFract="-0.00248697"
                           y3="0.00351"
                           yFract="0.00041588"
                           z3="4.07572"
                           zFract="0.18342574"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02973"
                           xFract="0.00352251"
                           y3="-0.00015"
                           yFract="-0.00001777"
                           z3="8.59941"
                           zFract="0.38701215"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.9160"
                           xFract="0.22701422"
                           y3="2.00423"
                           yFract="0.23746801"
                           z3="4.24256"
                           zFract="0.19093429"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10081"
                           xFract="0.24891114"
                           y3="2.09534"
                           yFract="0.24826303"
                           z3="8.46226"
                           zFract="0.38083978"/>
                     <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="4.1847"
                           xFract="0.49581754"
                           y3="2.16475"
                           yFract="0.25648697"
                           z3="6.34677"
                           zFract="0.28563321"/>
                     <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="6.32099"
                           xFract="0.74893246"
                           y3="0.01133"
                           yFract="0.00134242"
                           z3="6.31412"
                           zFract="0.28416382"/>
                     <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="4.20951"
                           xFract="0.49875711"
                           y3="0.13658"
                           yFract="0.01618246"
                           z3="4.23035"
                           zFract="0.19038479"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20992"
                           xFract="0.49880569"
                           y3="-0.00262"
                           yFract="-0.00031043"
                           z3="8.50463"
                           zFract="0.38274662"/>
                     <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="6.49679"
                           xFract="0.76976185"
                           y3="2.11056"
                           yFract="0.25006635"
                           z3="4.19229"
                           zFract="0.18867192"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34636"
                           xFract="0.75193839"
                           y3="2.14463"
                           yFract="0.25410308"
                           z3="8.49882"
                           zFract="0.38248515"/>
                     <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="0.04453"
                           xFract="0.00527607"
                           y3="6.35943"
                           yFract="0.75348697"
                           z3="6.31463"
                           zFract="0.28418677"/>
                     <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="2.25942"
                           xFract="0.26770379"
                           y3="4.21603"
                           yFract="0.49952962"
                           z3="6.19669"
                           zFract="0.27887894"/>
                     <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="-0.07259"
                           xFract="-0.00860071"
                           y3="4.25805"
                           yFract="0.50450829"
                           z3="4.24646"
                           zFract="0.19110981"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00443"
                           xFract="0.00052488"
                           y3="4.22426"
                           yFract="0.50050474"
                           z3="8.35157"
                           zFract="0.37585824"/>
                     <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="2.09891"
                           xFract="0.24868602"
                           y3="6.44235"
                           yFract="0.76331161"
                           z3="4.21352"
                           zFract="0.18962736"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10385"
                           xFract="0.24927133"
                           y3="6.36049"
                           yFract="0.75361256"
                           z3="8.43081"
                           zFract="0.37942439"/>
                     <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="4.18326"
                           xFract="0.49564692"
                           y3="6.2816"
                           yFract="0.7442654"
                           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="6.14661"
                           xFract="0.72827133"
                           y3="4.20598"
                           yFract="0.49833886"
                           z3="6.36244"
                           zFract="0.28633843"/>
                     <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="4.28185"
                           xFract="0.5073282"
                           y3="4.09628"
                           yFract="0.48534123"
                           z3="4.27122"
                           zFract="0.19222412"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19467"
                           xFract="0.49699882"
                           y3="4.22684"
                           yFract="0.50081043"
                           z3="8.47549"
                           zFract="0.38143519"/>
                     <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="6.32185"
                           xFract="0.74903436"
                           y3="6.33972"
                           yFract="0.75115166"
                           z3="4.25975"
                           zFract="0.19170792"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33726"
                           xFract="0.75086019"
                           y3="6.29047"
                           yFract="0.74531635"
                           z3="8.49681"
                           zFract="0.38239469"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a43" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" 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="2.08498"
                           xFract="0.24703555"
                           y3="0.01244"
                           yFract="0.00147393"
                           z3="4.21996"
                           zFract="0.18991719"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.19321"
                           xFract="0.49682583"
                           y3="4.22258"
                           yFract="0.50030569"
                           z3="6.34179"
                           zFract="0.28540909"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.34664"
                           xFract="0.75197156"
                           y3="4.22362"
                           yFract="0.50042891"
                           z3="8.41688"
                           zFract="0.37879748"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31069"
                           xFract="0.74771209"
                           y3="0.00417"
                           yFract="0.00049408"
                           z3="4.21723"
                           zFract="0.18979433"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="-0.00906"
                           xFract="-0.00107346"
                           y3="2.10104"
                           yFract="0.24893839"
                           z3="4.19126"
                           zFract="0.18862556"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="0.02243"
                           xFract="0.00265758"
                           y3="6.35327"
                           yFract="0.75275711"
                           z3="8.39912"
                           zFract="0.3779982"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.08625"
                           xFract="0.24718602"
                           y3="-0.0020"
                           yFract="-0.00023697"
                           z3="8.49187"
                           zFract="0.38217237"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.10837"
                           xFract="0.24980687"
                           y3="2.12761"
                           yFract="0.25208649"
                           z3="6.34925"
                           zFract="0.28574482"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.19537"
                           xFract="0.49708175"
                           y3="2.13055"
                           yFract="0.25243483"
                           z3="8.42554"
                           zFract="0.37918722"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.31011"
                           xFract="0.74764336"
                           y3="4.22427"
                           yFract="0.50050592"
                           z3="4.22019"
                           zFract="0.18992754"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01737"
                           xFract="-0.00205806"
                           y3="6.35996"
                           yFract="0.75354976"
                           z3="4.21175"
                           zFract="0.1895477"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.19999"
                           xFract="0.49762915"
                           y3="6.3138"
                           yFract="0.74808057"
                           z3="8.43301"
                           zFract="0.3795234"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.02651"
                           xFract="0.003141"
                           y3="2.1059"
                           yFract="0.24951422"
                           z3="8.38439"
                           zFract="0.37733528"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11451"
                           xFract="0.25053436"
                           y3="6.32107"
                           yFract="0.74894194"
                           z3="6.32444"
                           zFract="0.28462826"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20821"
                           xFract="0.49860308"
                           y3="6.33037"
                           yFract="0.75004384"
                           z3="4.20801"
                           zFract="0.18937939"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21289"
                           xFract="0.49915758"
                           y3="2.11763"
                           yFract="0.25090403"
                           z3="4.23685"
                           zFract="0.19067732"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.11034"
                           xFract="0.25004028"
                           y3="4.2237"
                           yFract="0.50043839"
                           z3="4.18431"
                           zFract="0.18831278"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.05048"
                           xFract="0.00598104"
                           y3="4.21417"
                           yFract="0.49930924"
                           z3="6.30362"
                           zFract="0.28369127"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09621"
                           xFract="0.24836611"
                           y3="4.23391"
                           yFract="0.5016481"
                           z3="8.5483"
                           zFract="0.38471197"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02848"
                           xFract="0.00337441"
                           y3="-0.00127"
                           yFract="-0.00015047"
                           z3="6.35343"
                           zFract="0.28593294"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3650"
                           xFract="0.75414692"
                           y3="-0.0068"
                           yFract="-0.00080569"
                           z3="8.49539"
                           zFract="0.38233078"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.33567"
                           xFract="0.7506718"
                           y3="2.1049"
                           yFract="0.24939573"
                           z3="6.33627"
                           zFract="0.28516067"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           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="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20318"
                           xFract="0.49800711"
                           y3="-0.00092"
                           yFract="-0.000109"
                           z3="6.35569"
                           zFract="0.28603465"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.34505"
                           xFract="0.75178318"
                           y3="6.33085"
                           yFract="0.75010071"
                           z3="6.36988"
                           zFract="0.28667327"/>
                     <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="0.02383"
                           xFract="0.00282346"
                           y3="2.0733"
                           yFract="0.24565166"
                           z3="6.27479"
                           zFract="0.28239379"/>
                     <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="2.11726"
                           xFract="0.25086019"
                           y3="0.00976"
                           yFract="0.0011564"
                           z3="6.29166"
                           zFract="0.28315302"/>
                     <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="-0.02104"
                           xFract="-0.00249289"
                           y3="0.00379"
                           yFract="0.00044905"
                           z3="4.07282"
                           zFract="0.18329523"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.03024"
                           xFract="0.00358294"
                           y3="0.00062"
                           yFract="0.00007346"
                           z3="8.60516"
                           zFract="0.38727093"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="1.91531"
                           xFract="0.22693246"
                           y3="2.00514"
                           yFract="0.23757583"
                           z3="4.24339"
                           zFract="0.19097165"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10133"
                           xFract="0.24897275"
                           y3="2.09207"
                           yFract="0.24787559"
                           z3="8.46221"
                           zFract="0.38083753"/>
                     <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="4.18445"
                           xFract="0.49578791"
                           y3="2.16649"
                           yFract="0.25669313"
                           z3="6.34966"
                           zFract="0.28576328"/>
                     <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="6.32077"
                           xFract="0.7489064"
                           y3="0.01129"
                           yFract="0.00133768"
                           z3="6.31616"
                           zFract="0.28425563"/>
                     <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="4.21072"
                           xFract="0.49890047"
                           y3="0.14185"
                           yFract="0.01680687"
                           z3="4.23492"
                           zFract="0.19059046"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21016"
                           xFract="0.49883412"
                           y3="-0.00186"
                           yFract="-0.00022038"
                           z3="8.50364"
                           zFract="0.38270207"/>
                     <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="6.49945"
                           xFract="0.77007701"
                           y3="2.10879"
                           yFract="0.24985664"
                           z3="4.1920"
                           zFract="0.18865887"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3464"
                           xFract="0.75194313"
                           y3="2.14523"
                           yFract="0.25417417"
                           z3="8.4993"
                           zFract="0.38250675"/>
                     <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="0.04363"
                           xFract="0.00516943"
                           y3="6.36285"
                           yFract="0.75389218"
                           z3="6.31245"
                           zFract="0.28408866"/>
                     <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="2.25472"
                           xFract="0.26714692"
                           y3="4.21631"
                           yFract="0.4995628"
                           z3="6.19761"
                           zFract="0.27892034"/>
                     <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="-0.07469"
                           xFract="-0.00884953"
                           y3="4.25938"
                           yFract="0.50466588"
                           z3="4.24311"
                           zFract="0.19095905"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00472"
                           xFract="0.00055924"
                           y3="4.22487"
                           yFract="0.50057701"
                           z3="8.35052"
                           zFract="0.37581098"/>
                     <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="2.10078"
                           xFract="0.24890758"
                           y3="6.44321"
                           yFract="0.76341351"
                           z3="4.21051"
                           zFract="0.1894919"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10458"
                           xFract="0.24935782"
                           y3="6.36436"
                           yFract="0.75407109"
                           z3="8.43096"
                           zFract="0.37943114"/>
                     <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="4.18217"
                           xFract="0.49551777"
                           y3="6.28077"
                           yFract="0.74416706"
                           z3="6.34059"
                           zFract="0.28535509"/>
                     <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="6.1512"
                           xFract="0.72881517"
                           y3="4.20618"
                           yFract="0.49836256"
                           z3="6.36121"
                           zFract="0.28628308"/>
                     <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="4.28117"
                           xFract="0.50724763"
                           y3="4.09696"
                           yFract="0.4854218"
                           z3="4.2712"
                           zFract="0.19222322"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.19572"
                           xFract="0.49712322"
                           y3="4.22681"
                           yFract="0.50080687"
                           z3="8.47424"
                           zFract="0.38137894"/>
                     <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="6.31933"
                           xFract="0.74873578"
                           y3="6.3408"
                           yFract="0.75127962"
                           z3="4.25766"
                           zFract="0.19161386"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33701"
                           xFract="0.75083057"
                           y3="6.29146"
                           yFract="0.74543365"
                           z3="8.4973"
                           zFract="0.38241674"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a49" order="S"/>
                     <bond atomRefs2="a1 a44" order="S"/>
                     <bond atomRefs2="a1 a43" order="S"/>
                     <bond atomRefs2="a1 a46" order="S"/>
                     <bond atomRefs2="a1 a56" order="S"/>
                     <bond atomRefs2="a2 a72" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a60" order="S"/>
                     <bond atomRefs2="a4 a54" order="S"/>
                     <bond atomRefs2="a4 a56" order="S"/>
                     <bond atomRefs2="a4 a59" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a41" order="S"/>
                     <bond atomRefs2="a5 a46" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a66" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a41" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a46" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a68" order="S"/>
                     <bond atomRefs2="a9 a63" order="S"/>
                     <bond atomRefs2="a9 a65" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a10 a49" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a64" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a57" order="S"/>
                     <bond atomRefs2="a12 a60" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a68" order="S"/>
                     <bond atomRefs2="a13 a63" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a79" order="S"/>
                     <bond atomRefs2="a14 a76" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a15 a69" order="S"/>
                     <bond atomRefs2="a15 a62" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a61" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a16 a77" order="S"/>
                     <bond atomRefs2="a16 a80" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a19 a42" order="S"/>
                     <bond atomRefs2="a19 a47" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a62" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a21 a41" order="S"/>
                     <bond atomRefs2="a21 a48" order="S"/>
                     <bond atomRefs2="a21 a45" order="S"/>
                     <bond atomRefs2="a21 a65" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a75" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a79" order="S"/>
                     <bond atomRefs2="a23 a69" order="S"/>
                     <bond atomRefs2="a24 a52" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a51" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a73" order="S"/>
                     <bond atomRefs2="a26 a75" order="S"/>
                     <bond atomRefs2="a26 a58" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a56" order="S"/>
                     <bond atomRefs2="a27 a43" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a70" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a32 a52" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a35 a58" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a71" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a48" order="S"/>
                     <bond atomRefs2="a38 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a56" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                     <bond atomRefs2="a40 a74" order="S"/>
                     <bond atomRefs2="a40 a79" order="S"/>
                     <bond atomRefs2="a40 a80" 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">0.007 -0.001 0.007 0.004 0.001 0.008 0.009 0.001 0.005 0.000 -0.000 0.000 -0.001 0.002 0.003 0.002 0.000 0.001 0.003 0.001 -0.003 -0.003 -0.003 0.002 0.007 0.005 0.002 0.003 0.015 -0.002 0.023 0.003 -0.001 0.008 -0.002 0.001 -0.007 0.000 0.000 -0.002 0.006 0.006 0.005 0.009 0.005 0.018 0.008 0.004 0.008 0.006 0.001 0.012 0.005 0.004 0.000 0.010 0.004 -0.001 0.005 0.004 0.005 0.005 0.003 0.006 0.003 0.003 0.004 0.006 0.005 0.007 0.001 0.006 0.000 0.008 0.002 0.007 0.006 0.001 0.007 0.008</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="80">0.007 -0.003 0.009 0.006 -0.001 0.009 0.005 -0.004 0.003 -0.000 -0.000 0.001 -0.001 0.005 0.006 0.003 0.004 0.002 0.003 0.002 0.001 0.005 0.000 -0.001 0.005 0.005 0.003 0.001 0.007 -0.001 0.013 0.005 -0.002 0.006 0.000 -0.001 0.009 0.001 -0.000 -0.001 0.097 -0.003 0.027 0.100 0.076 0.182 0.074 0.070 0.035 0.053 0.045 0.145 0.039 0.027 0.005 0.129 0.027 0.018 0.049 0.037 0.066 0.020 0.055 -0.011 0.033 0.035 -0.015 0.073 0.042 0.042 0.097 0.076 0.006 0.093 0.035 0.132 0.060 0.019 0.110 0.080</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="80">1.153 0.946 1.304 1.525 0.824 1.512 1.120 1.128 1.151 1.512 -0.000 0.000 -0.000 0.002 0.003 0.001 0.002 0.001 0.001 0.001 0.383 0.490 0.492 0.356 -0.160 -0.388 -0.424 -0.416 -0.296 -0.356 0.003 0.007 -0.000 0.001 -0.004 -0.003 0.022 0.004 -0.006 0.001 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">1.167 0.941 1.321 1.535 0.824 1.529 1.134 1.125 1.159 1.512 -0.001 0.001 -0.001 0.009 0.012 0.007 0.006 0.004 0.007 0.004 0.381 0.491 0.488 0.356 -0.148 -0.378 -0.418 -0.412 -0.274 -0.359 0.039 0.015 -0.003 0.015 -0.005 -0.003 0.024 0.006 -0.005 -0.002 0.103 0.003 0.032 0.109 0.081 0.199 0.083 0.074 0.043 0.059 0.046 0.157 0.045 0.031 0.005 0.140 0.031 0.017 0.055 0.041 0.071 0.025 0.057 -0.005 0.036 0.039 -0.011 0.079 0.047 0.049 0.098 0.082 0.006 0.101 0.037 0.139 0.066 0.020 0.117 0.088</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.310</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">2.393</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">11.890</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">14.593</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-422.96371778</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-422.95271464</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-422.95821621</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.5032</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2230195E-02</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ni"
                        id="a1"
                        x3="2.08498"
                        xFract="0.24703555"
                        y3="0.01244"
                        yFract="0.00147393"
                        z3="4.21996"
                        zFract="0.18991719"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="4.19321"
                        xFract="0.49682583"
                        y3="4.22258"
                        yFract="0.50030569"
                        z3="6.34179"
                        zFract="0.28540909"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="6.34664"
                        xFract="0.75197156"
                        y3="4.22362"
                        yFract="0.50042891"
                        z3="8.41688"
                        zFract="0.37879748"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.31069"
                        xFract="0.74771209"
                        y3="0.00417"
                        yFract="0.00049408"
                        z3="4.21723"
                        zFract="0.18979433"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="-0.00906"
                        xFract="-0.00107346"
                        y3="2.10104"
                        yFract="0.24893839"
                        z3="4.19126"
                        zFract="0.18862556"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="0.02243"
                        xFract="0.00265758"
                        y3="6.35327"
                        yFract="0.75275711"
                        z3="8.39912"
                        zFract="0.3779982"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="2.08625"
                        xFract="0.24718602"
                        y3="-0.0020"
                        yFract="-0.00023697"
                        z3="8.49187"
                        zFract="0.38217237"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="2.10837"
                        xFract="0.24980687"
                        y3="2.12761"
                        yFract="0.25208649"
                        z3="6.34925"
                        zFract="0.28574482"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="4.19537"
                        xFract="0.49708175"
                        y3="2.13055"
                        yFract="0.25243483"
                        z3="8.42554"
                        zFract="0.37918722"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="6.31011"
                        xFract="0.74764336"
                        y3="4.22427"
                        yFract="0.50050592"
                        z3="4.22019"
                        zFract="0.18992754"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="-0.01737"
                        xFract="-0.00205806"
                        y3="6.35996"
                        yFract="0.75354976"
                        z3="4.21175"
                        zFract="0.1895477"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="4.19999"
                        xFract="0.49762915"
                        y3="6.3138"
                        yFract="0.74808057"
                        z3="8.43301"
                        zFract="0.3795234"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="0.02651"
                        xFract="0.003141"
                        y3="2.1059"
                        yFract="0.24951422"
                        z3="8.38439"
                        zFract="0.37733528"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.11451"
                        xFract="0.25053436"
                        y3="6.32107"
                        yFract="0.74894194"
                        z3="6.32444"
                        zFract="0.28462826"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="4.20821"
                        xFract="0.49860308"
                        y3="6.33037"
                        yFract="0.75004384"
                        z3="4.20801"
                        zFract="0.18937939"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.21289"
                        xFract="0.49915758"
                        y3="2.11763"
                        yFract="0.25090403"
                        z3="4.23685"
                        zFract="0.19067732"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.11034"
                        xFract="0.25004028"
                        y3="4.2237"
                        yFract="0.50043839"
                        z3="4.18431"
                        zFract="0.18831278"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="0.05048"
                        xFract="0.00598104"
                        y3="4.21417"
                        yFract="0.49930924"
                        z3="6.30362"
                        zFract="0.28369127"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.09621"
                        xFract="0.24836611"
                        y3="4.23391"
                        yFract="0.5016481"
                        z3="8.5483"
                        zFract="0.38471197"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.02848"
                        xFract="0.00337441"
                        y3="-0.00127"
                        yFract="-0.00015047"
                        z3="6.35343"
                        zFract="0.28593294"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="6.3650"
                        xFract="0.75414692"
                        y3="-0.0068"
                        yFract="-0.00080569"
                        z3="8.49539"
                        zFract="0.38233078"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="6.33567"
                        xFract="0.7506718"
                        y3="2.1049"
                        yFract="0.24939573"
                        z3="6.33627"
                        zFract="0.28516067"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        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="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="4.20318"
                        xFract="0.49800711"
                        y3="-0.00092"
                        yFract="-0.000109"
                        z3="6.35569"
                        zFract="0.28603465"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="6.34505"
                        xFract="0.75178318"
                        y3="6.33085"
                        yFract="0.75010071"
                        z3="6.36988"
                        zFract="0.28667327"/>
                  <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="0.02383"
                        xFract="0.00282346"
                        y3="2.0733"
                        yFract="0.24565166"
                        z3="6.27479"
                        zFract="0.28239379"/>
                  <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="2.11726"
                        xFract="0.25086019"
                        y3="0.00976"
                        yFract="0.0011564"
                        z3="6.29166"
                        zFract="0.28315302"/>
                  <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="-0.02104"
                        xFract="-0.00249289"
                        y3="0.00379"
                        yFract="0.00044905"
                        z3="4.07282"
                        zFract="0.18329523"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.03024"
                        xFract="0.00358294"
                        y3="0.00062"
                        yFract="0.00007346"
                        z3="8.60516"
                        zFract="0.38727093"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a49"
                        x3="1.91531"
                        xFract="0.22693246"
                        y3="2.00514"
                        yFract="0.23757583"
                        z3="4.24339"
                        zFract="0.19097165"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.10133"
                        xFract="0.24897275"
                        y3="2.09207"
                        yFract="0.24787559"
                        z3="8.46221"
                        zFract="0.38083753"/>
                  <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="4.18445"
                        xFract="0.49578791"
                        y3="2.16649"
                        yFract="0.25669313"
                        z3="6.34966"
                        zFract="0.28576328"/>
                  <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="6.32077"
                        xFract="0.7489064"
                        y3="0.01129"
                        yFract="0.00133768"
                        z3="6.31616"
                        zFract="0.28425563"/>
                  <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="4.21072"
                        xFract="0.49890047"
                        y3="0.14185"
                        yFract="0.01680687"
                        z3="4.23492"
                        zFract="0.19059046"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.21016"
                        xFract="0.49883412"
                        y3="-0.00186"
                        yFract="-0.00022038"
                        z3="8.50364"
                        zFract="0.38270207"/>
                  <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="6.49945"
                        xFract="0.77007701"
                        y3="2.10879"
                        yFract="0.24985664"
                        z3="4.1920"
                        zFract="0.18865887"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.3464"
                        xFract="0.75194313"
                        y3="2.14523"
                        yFract="0.25417417"
                        z3="8.4993"
                        zFract="0.38250675"/>
                  <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="0.04363"
                        xFract="0.00516943"
                        y3="6.36285"
                        yFract="0.75389218"
                        z3="6.31245"
                        zFract="0.28408866"/>
                  <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="2.25472"
                        xFract="0.26714692"
                        y3="4.21631"
                        yFract="0.4995628"
                        z3="6.19761"
                        zFract="0.27892034"/>
                  <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="-0.07469"
                        xFract="-0.00884953"
                        y3="4.25938"
                        yFract="0.50466588"
                        z3="4.24311"
                        zFract="0.19095905"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.00472"
                        xFract="0.00055924"
                        y3="4.22487"
                        yFract="0.50057701"
                        z3="8.35052"
                        zFract="0.37581098"/>
                  <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="2.10078"
                        xFract="0.24890758"
                        y3="6.44321"
                        yFract="0.76341351"
                        z3="4.21051"
                        zFract="0.1894919"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.10458"
                        xFract="0.24935782"
                        y3="6.36436"
                        yFract="0.75407109"
                        z3="8.43096"
                        zFract="0.37943114"/>
                  <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="4.18217"
                        xFract="0.49551777"
                        y3="6.28077"
                        yFract="0.74416706"
                        z3="6.34059"
                        zFract="0.28535509"/>
                  <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="6.1512"
                        xFract="0.72881517"
                        y3="4.20618"
                        yFract="0.49836256"
                        z3="6.36121"
                        zFract="0.28628308"/>
                  <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="4.28117"
                        xFract="0.50724763"
                        y3="4.09696"
                        yFract="0.4854218"
                        z3="4.2712"
                        zFract="0.19222322"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.19572"
                        xFract="0.49712322"
                        y3="4.22681"
                        yFract="0.50080687"
                        z3="8.47424"
                        zFract="0.38137894"/>
                  <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="6.31933"
                        xFract="0.74873578"
                        y3="6.3408"
                        yFract="0.75127962"
                        z3="4.25766"
                        zFract="0.19161386"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.33701"
                        xFract="0.75083057"
                        y3="6.29146"
                        yFract="0.74543365"
                        z3="8.4973"
                        zFract="0.38241674"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a49" order="S"/>
                  <bond atomRefs2="a1 a44" order="S"/>
                  <bond atomRefs2="a1 a43" order="S"/>
                  <bond atomRefs2="a1 a46" order="S"/>
                  <bond atomRefs2="a1 a56" order="S"/>
                  <bond atomRefs2="a2 a72" order="S"/>
                  <bond atomRefs2="a2 a52" order="S"/>
                  <bond atomRefs2="a2 a74" order="S"/>
                  <bond atomRefs2="a2 a77" order="S"/>
                  <bond atomRefs2="a2 a76" order="S"/>
                  <bond atomRefs2="a2 a64" order="S"/>
                  <bond atomRefs2="a3 a74" order="S"/>
                  <bond atomRefs2="a3 a80" order="S"/>
                  <bond atomRefs2="a3 a77" order="S"/>
                  <bond atomRefs2="a3 a60" order="S"/>
                  <bond atomRefs2="a4 a54" order="S"/>
                  <bond atomRefs2="a4 a56" order="S"/>
                  <bond atomRefs2="a4 a59" order="S"/>
                  <bond atomRefs2="a4 a53" order="S"/>
                  <bond atomRefs2="a5 a41" order="S"/>
                  <bond atomRefs2="a5 a46" order="S"/>
                  <bond atomRefs2="a5 a49" order="S"/>
                  <bond atomRefs2="a5 a42" order="S"/>
                  <bond atomRefs2="a5 a66" order="S"/>
                  <bond atomRefs2="a6 a62" order="S"/>
                  <bond atomRefs2="a6 a67" order="S"/>
                  <bond atomRefs2="a6 a70" order="S"/>
                  <bond atomRefs2="a7 a50" order="S"/>
                  <bond atomRefs2="a7 a47" order="S"/>
                  <bond atomRefs2="a7 a57" order="S"/>
                  <bond atomRefs2="a8 a41" order="S"/>
                  <bond atomRefs2="a8 a43" order="S"/>
                  <bond atomRefs2="a8 a46" order="S"/>
                  <bond atomRefs2="a8 a45" order="S"/>
                  <bond atomRefs2="a9 a68" order="S"/>
                  <bond atomRefs2="a9 a63" order="S"/>
                  <bond atomRefs2="a9 a65" order="S"/>
                  <bond atomRefs2="a9 a48" order="S"/>
                  <bond atomRefs2="a9 a75" order="S"/>
                  <bond atomRefs2="a10 a49" order="S"/>
                  <bond atomRefs2="a10 a50" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a10 a42" order="S"/>
                  <bond atomRefs2="a10 a64" order="S"/>
                  <bond atomRefs2="a10 a52" order="S"/>
                  <bond atomRefs2="a11 a58" order="S"/>
                  <bond atomRefs2="a11 a59" order="S"/>
                  <bond atomRefs2="a11 a53" order="S"/>
                  <bond atomRefs2="a11 a51" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a73" order="S"/>
                  <bond atomRefs2="a12 a52" order="S"/>
                  <bond atomRefs2="a12 a57" order="S"/>
                  <bond atomRefs2="a12 a60" order="S"/>
                  <bond atomRefs2="a12 a77" order="S"/>
                  <bond atomRefs2="a12 a50" order="S"/>
                  <bond atomRefs2="a13 a69" order="S"/>
                  <bond atomRefs2="a13 a68" order="S"/>
                  <bond atomRefs2="a13 a63" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a61" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a71" order="S"/>
                  <bond atomRefs2="a14 a74" order="S"/>
                  <bond atomRefs2="a14 a79" order="S"/>
                  <bond atomRefs2="a14 a76" order="S"/>
                  <bond atomRefs2="a14 a73" order="S"/>
                  <bond atomRefs2="a14 a59" order="S"/>
                  <bond atomRefs2="a15 a69" order="S"/>
                  <bond atomRefs2="a15 a62" order="S"/>
                  <bond atomRefs2="a15 a66" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a61" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a16 a72" order="S"/>
                  <bond atomRefs2="a16 a77" order="S"/>
                  <bond atomRefs2="a16 a80" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a16 a70" order="S"/>
                  <bond atomRefs2="a17 a61" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a65" order="S"/>
                  <bond atomRefs2="a17 a68" order="S"/>
                  <bond atomRefs2="a18 a65" order="S"/>
                  <bond atomRefs2="a18 a61" order="S"/>
                  <bond atomRefs2="a18 a63" order="S"/>
                  <bond atomRefs2="a18 a66" order="S"/>
                  <bond atomRefs2="a18 a41" order="S"/>
                  <bond atomRefs2="a19 a42" order="S"/>
                  <bond atomRefs2="a19 a47" order="S"/>
                  <bond atomRefs2="a19 a50" order="S"/>
                  <bond atomRefs2="a19 a67" order="S"/>
                  <bond atomRefs2="a20 a72" order="S"/>
                  <bond atomRefs2="a20 a69" order="S"/>
                  <bond atomRefs2="a20 a62" order="S"/>
                  <bond atomRefs2="a20 a70" order="S"/>
                  <bond atomRefs2="a20 a64" order="S"/>
                  <bond atomRefs2="a21 a41" order="S"/>
                  <bond atomRefs2="a21 a48" order="S"/>
                  <bond atomRefs2="a21 a45" order="S"/>
                  <bond atomRefs2="a21 a65" order="S"/>
                  <bond atomRefs2="a22 a71" order="S"/>
                  <bond atomRefs2="a22 a78" order="S"/>
                  <bond atomRefs2="a22 a75" order="S"/>
                  <bond atomRefs2="a22 a68" order="S"/>
                  <bond atomRefs2="a23 a72" order="S"/>
                  <bond atomRefs2="a23 a71" order="S"/>
                  <bond atomRefs2="a23 a79" order="S"/>
                  <bond atomRefs2="a23 a69" order="S"/>
                  <bond atomRefs2="a24 a52" order="S"/>
                  <bond atomRefs2="a24 a56" order="S"/>
                  <bond atomRefs2="a24 a51" order="S"/>
                  <bond atomRefs2="a24 a76" order="S"/>
                  <bond atomRefs2="a25 a63" order="S"/>
                  <bond atomRefs2="a25 a64" order="S"/>
                  <bond atomRefs2="a25 a76" order="S"/>
                  <bond atomRefs2="a26 a78" order="S"/>
                  <bond atomRefs2="a26 a73" order="S"/>
                  <bond atomRefs2="a26 a75" order="S"/>
                  <bond atomRefs2="a26 a58" order="S"/>
                  <bond atomRefs2="a27 a55" order="S"/>
                  <bond atomRefs2="a27 a51" order="S"/>
                  <bond atomRefs2="a27 a53" order="S"/>
                  <bond atomRefs2="a27 a56" order="S"/>
                  <bond atomRefs2="a27 a43" order="S"/>
                  <bond atomRefs2="a28 a62" order="S"/>
                  <bond atomRefs2="a28 a67" order="S"/>
                  <bond atomRefs2="a28 a66" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a29 a70" order="S"/>
                  <bond atomRefs2="a29 a67" order="S"/>
                  <bond atomRefs2="a29 a50" order="S"/>
                  <bond atomRefs2="a29 a77" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a44" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a60" order="S"/>
                  <bond atomRefs2="a31 a57" order="S"/>
                  <bond atomRefs2="a32 a52" order="S"/>
                  <bond atomRefs2="a32 a60" order="S"/>
                  <bond atomRefs2="a32 a54" order="S"/>
                  <bond atomRefs2="a32 a59" order="S"/>
                  <bond atomRefs2="a32 a74" order="S"/>
                  <bond atomRefs2="a33 a71" order="S"/>
                  <bond atomRefs2="a33 a78" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
                  <bond atomRefs2="a33 a79" order="S"/>
                  <bond atomRefs2="a34 a48" order="S"/>
                  <bond atomRefs2="a34 a43" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a55" order="S"/>
                  <bond atomRefs2="a35 a58" order="S"/>
                  <bond atomRefs2="a35 a53" order="S"/>
                  <bond atomRefs2="a35 a55" order="S"/>
                  <bond atomRefs2="a36 a71" order="S"/>
                  <bond atomRefs2="a36 a73" order="S"/>
                  <bond atomRefs2="a36 a75" order="S"/>
                  <bond atomRefs2="a36 a76" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a36 a63" order="S"/>
                  <bond atomRefs2="a37 a51" order="S"/>
                  <bond atomRefs2="a37 a55" order="S"/>
                  <bond atomRefs2="a37 a58" order="S"/>
                  <bond atomRefs2="a37 a75" order="S"/>
                  <bond atomRefs2="a37 a48" order="S"/>
                  <bond atomRefs2="a38 a41" order="S"/>
                  <bond atomRefs2="a38 a48" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a38 a63" order="S"/>
                  <bond atomRefs2="a38 a51" order="S"/>
                  <bond atomRefs2="a39 a52" order="S"/>
                  <bond atomRefs2="a39 a56" order="S"/>
                  <bond atomRefs2="a39 a57" order="S"/>
                  <bond atomRefs2="a39 a54" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a40 a72" order="S"/>
                  <bond atomRefs2="a40 a74" order="S"/>
                  <bond atomRefs2="a40 a79" order="S"/>
                  <bond atomRefs2="a40 a80" 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>
