<?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">6.2.1</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">16May21 (build Jun 30 2023 17:28:47) complex</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ni"
                        id="a1"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <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="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <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="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <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 a74" order="S"/>
                  <bond atomRefs2="a1 a80" order="S"/>
                  <bond atomRefs2="a1 a77" order="S"/>
                  <bond atomRefs2="a1 a60" order="S"/>
                  <bond atomRefs2="a2 a58" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a2 a55" order="S"/>
                  <bond atomRefs2="a3 a79" order="S"/>
                  <bond atomRefs2="a3 a80" order="S"/>
                  <bond atomRefs2="a3 a74" order="S"/>
                  <bond atomRefs2="a3 a72" order="S"/>
                  <bond atomRefs2="a4 a51" order="S"/>
                  <bond atomRefs2="a4 a55" order="S"/>
                  <bond atomRefs2="a4 a58" order="S"/>
                  <bond atomRefs2="a4 a75" order="S"/>
                  <bond atomRefs2="a4 a48" order="S"/>
                  <bond atomRefs2="a5 a68" order="S"/>
                  <bond atomRefs2="a5 a61" order="S"/>
                  <bond atomRefs2="a5 a65" order="S"/>
                  <bond atomRefs2="a6 a62" order="S"/>
                  <bond atomRefs2="a6 a67" order="S"/>
                  <bond atomRefs2="a6 a70" order="S"/>
                  <bond atomRefs2="a7 a42" order="S"/>
                  <bond atomRefs2="a7 a47" order="S"/>
                  <bond atomRefs2="a7 a50" order="S"/>
                  <bond atomRefs2="a7 a67" order="S"/>
                  <bond atomRefs2="a8 a69" order="S"/>
                  <bond atomRefs2="a8 a64" order="S"/>
                  <bond atomRefs2="a8 a66" order="S"/>
                  <bond atomRefs2="a8 a63" order="S"/>
                  <bond atomRefs2="a8 a49" order="S"/>
                  <bond atomRefs2="a8 a76" 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 a72" order="S"/>
                  <bond atomRefs2="a10 a77" order="S"/>
                  <bond atomRefs2="a10 a80" order="S"/>
                  <bond atomRefs2="a10 a70" order="S"/>
                  <bond atomRefs2="a11 a44" order="S"/>
                  <bond atomRefs2="a11 a50" order="S"/>
                  <bond atomRefs2="a11 a47" order="S"/>
                  <bond atomRefs2="a11 a57" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a64" order="S"/>
                  <bond atomRefs2="a12 a70" order="S"/>
                  <bond atomRefs2="a12 a67" order="S"/>
                  <bond atomRefs2="a12 a50" order="S"/>
                  <bond atomRefs2="a12 a77" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a13 a79" order="S"/>
                  <bond atomRefs2="a13 a72" order="S"/>
                  <bond atomRefs2="a13 a71" order="S"/>
                  <bond atomRefs2="a13 a76" order="S"/>
                  <bond atomRefs2="a13 a69" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a14 a59" order="S"/>
                  <bond atomRefs2="a14 a60" order="S"/>
                  <bond atomRefs2="a14 a54" order="S"/>
                  <bond atomRefs2="a14 a52" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a74" order="S"/>
                  <bond atomRefs2="a15 a48" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a45" order="S"/>
                  <bond atomRefs2="a15 a55" order="S"/>
                  <bond atomRefs2="a16 a69" order="S"/>
                  <bond atomRefs2="a16 a70" order="S"/>
                  <bond atomRefs2="a16 a64" order="S"/>
                  <bond atomRefs2="a16 a62" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a72" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a17 a45" order="S"/>
                  <bond atomRefs2="a17 a48" order="S"/>
                  <bond atomRefs2="a17 a65" order="S"/>
                  <bond atomRefs2="a18 a71" order="S"/>
                  <bond atomRefs2="a18 a75" order="S"/>
                  <bond atomRefs2="a18 a78" order="S"/>
                  <bond atomRefs2="a18 a68" order="S"/>
                  <bond atomRefs2="a19 a69" order="S"/>
                  <bond atomRefs2="a19 a62" order="S"/>
                  <bond atomRefs2="a19 a66" order="S"/>
                  <bond atomRefs2="a19 a61" order="S"/>
                  <bond atomRefs2="a20 a52" order="S"/>
                  <bond atomRefs2="a20 a57" order="S"/>
                  <bond atomRefs2="a20 a60" order="S"/>
                  <bond atomRefs2="a20 a77" order="S"/>
                  <bond atomRefs2="a20 a50" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a21 a51" order="S"/>
                  <bond atomRefs2="a21 a55" order="S"/>
                  <bond atomRefs2="a21 a53" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a22 a68" order="S"/>
                  <bond atomRefs2="a22 a63" order="S"/>
                  <bond atomRefs2="a22 a61" order="S"/>
                  <bond atomRefs2="a22 a69" order="S"/>
                  <bond atomRefs2="a22 a71" order="S"/>
                  <bond atomRefs2="a23 a76" order="S"/>
                  <bond atomRefs2="a23 a75" order="S"/>
                  <bond atomRefs2="a23 a71" order="S"/>
                  <bond atomRefs2="a23 a73" order="S"/>
                  <bond atomRefs2="a23 a51" order="S"/>
                  <bond atomRefs2="a23 a63" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a24 a53" order="S"/>
                  <bond atomRefs2="a24 a56" order="S"/>
                  <bond atomRefs2="a25 a78" order="S"/>
                  <bond atomRefs2="a25 a73" order="S"/>
                  <bond atomRefs2="a25 a71" order="S"/>
                  <bond atomRefs2="a25 a79" order="S"/>
                  <bond atomRefs2="a26 a49" order="S"/>
                  <bond atomRefs2="a26 a42" order="S"/>
                  <bond atomRefs2="a26 a46" order="S"/>
                  <bond atomRefs2="a26 a41" order="S"/>
                  <bond atomRefs2="a26 a66" order="S"/>
                  <bond atomRefs2="a27 a58" order="S"/>
                  <bond atomRefs2="a27 a53" order="S"/>
                  <bond atomRefs2="a27 a51" order="S"/>
                  <bond atomRefs2="a27 a59" order="S"/>
                  <bond atomRefs2="a27 a73" order="S"/>
                  <bond atomRefs2="a28 a46" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a45" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a29 a59" order="S"/>
                  <bond atomRefs2="a29 a52" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a29 a76" order="S"/>
                  <bond atomRefs2="a29 a49" order="S"/>
                  <bond atomRefs2="a30 a54" order="S"/>
                  <bond atomRefs2="a30 a60" order="S"/>
                  <bond atomRefs2="a30 a57" order="S"/>
                  <bond atomRefs2="a31 a52" order="S"/>
                  <bond atomRefs2="a31 a57" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a56" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a62" order="S"/>
                  <bond atomRefs2="a32 a67" order="S"/>
                  <bond atomRefs2="a32 a64" order="S"/>
                  <bond atomRefs2="a32 a66" order="S"/>
                  <bond atomRefs2="a32 a42" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a33 a43" order="S"/>
                  <bond atomRefs2="a33 a46" order="S"/>
                  <bond atomRefs2="a33 a56" order="S"/>
                  <bond atomRefs2="a34 a79" order="S"/>
                  <bond atomRefs2="a34 a74" order="S"/>
                  <bond atomRefs2="a34 a73" order="S"/>
                  <bond atomRefs2="a34 a76" order="S"/>
                  <bond atomRefs2="a34 a59" order="S"/>
                  <bond atomRefs2="a35 a72" order="S"/>
                  <bond atomRefs2="a35 a77" order="S"/>
                  <bond atomRefs2="a35 a74" order="S"/>
                  <bond atomRefs2="a35 a76" order="S"/>
                  <bond atomRefs2="a35 a52" order="S"/>
                  <bond atomRefs2="a35 a64" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a44" order="S"/>
                  <bond atomRefs2="a36 a46" order="S"/>
                  <bond atomRefs2="a37 a49" order="S"/>
                  <bond atomRefs2="a37 a50" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a64" order="S"/>
                  <bond atomRefs2="a37 a52" order="S"/>
                  <bond atomRefs2="a38 a78" order="S"/>
                  <bond atomRefs2="a38 a73" order="S"/>
                  <bond atomRefs2="a38 a75" order="S"/>
                  <bond atomRefs2="a38 a58" order="S"/>
                  <bond atomRefs2="a39 a48" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a39 a63" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a40 a66" order="S"/>
                  <bond atomRefs2="a40 a63" order="S"/>
                  <bond atomRefs2="a40 a65" order="S"/>
                  <bond atomRefs2="a40 a61" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
               </bondArray>
               <formula concise="Cu10Mg10Ni10O40Zn10">
                  <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2759.510000000007</scalar>
               </property>
            </molecule>
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ni"
                        id="a1"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <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="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <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="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <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 a74" order="S"/>
                  <bond atomRefs2="a1 a80" order="S"/>
                  <bond atomRefs2="a1 a77" order="S"/>
                  <bond atomRefs2="a1 a60" order="S"/>
                  <bond atomRefs2="a2 a58" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a2 a55" order="S"/>
                  <bond atomRefs2="a3 a79" order="S"/>
                  <bond atomRefs2="a3 a80" order="S"/>
                  <bond atomRefs2="a3 a74" order="S"/>
                  <bond atomRefs2="a3 a72" order="S"/>
                  <bond atomRefs2="a4 a51" order="S"/>
                  <bond atomRefs2="a4 a55" order="S"/>
                  <bond atomRefs2="a4 a58" order="S"/>
                  <bond atomRefs2="a4 a75" order="S"/>
                  <bond atomRefs2="a4 a48" order="S"/>
                  <bond atomRefs2="a5 a68" order="S"/>
                  <bond atomRefs2="a5 a61" order="S"/>
                  <bond atomRefs2="a5 a65" order="S"/>
                  <bond atomRefs2="a6 a62" order="S"/>
                  <bond atomRefs2="a6 a67" order="S"/>
                  <bond atomRefs2="a6 a70" order="S"/>
                  <bond atomRefs2="a7 a42" order="S"/>
                  <bond atomRefs2="a7 a47" order="S"/>
                  <bond atomRefs2="a7 a50" order="S"/>
                  <bond atomRefs2="a7 a67" order="S"/>
                  <bond atomRefs2="a8 a69" order="S"/>
                  <bond atomRefs2="a8 a64" order="S"/>
                  <bond atomRefs2="a8 a66" order="S"/>
                  <bond atomRefs2="a8 a63" order="S"/>
                  <bond atomRefs2="a8 a49" order="S"/>
                  <bond atomRefs2="a8 a76" 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 a72" order="S"/>
                  <bond atomRefs2="a10 a77" order="S"/>
                  <bond atomRefs2="a10 a80" order="S"/>
                  <bond atomRefs2="a10 a70" order="S"/>
                  <bond atomRefs2="a11 a44" order="S"/>
                  <bond atomRefs2="a11 a50" order="S"/>
                  <bond atomRefs2="a11 a47" order="S"/>
                  <bond atomRefs2="a11 a57" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a64" order="S"/>
                  <bond atomRefs2="a12 a70" order="S"/>
                  <bond atomRefs2="a12 a67" order="S"/>
                  <bond atomRefs2="a12 a50" order="S"/>
                  <bond atomRefs2="a12 a77" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a13 a79" order="S"/>
                  <bond atomRefs2="a13 a72" order="S"/>
                  <bond atomRefs2="a13 a71" order="S"/>
                  <bond atomRefs2="a13 a76" order="S"/>
                  <bond atomRefs2="a13 a69" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a14 a59" order="S"/>
                  <bond atomRefs2="a14 a60" order="S"/>
                  <bond atomRefs2="a14 a54" order="S"/>
                  <bond atomRefs2="a14 a52" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a74" order="S"/>
                  <bond atomRefs2="a15 a48" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a45" order="S"/>
                  <bond atomRefs2="a15 a55" order="S"/>
                  <bond atomRefs2="a16 a69" order="S"/>
                  <bond atomRefs2="a16 a70" order="S"/>
                  <bond atomRefs2="a16 a64" order="S"/>
                  <bond atomRefs2="a16 a62" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a72" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a17 a45" order="S"/>
                  <bond atomRefs2="a17 a48" order="S"/>
                  <bond atomRefs2="a17 a65" order="S"/>
                  <bond atomRefs2="a18 a71" order="S"/>
                  <bond atomRefs2="a18 a75" order="S"/>
                  <bond atomRefs2="a18 a78" order="S"/>
                  <bond atomRefs2="a18 a68" order="S"/>
                  <bond atomRefs2="a19 a69" order="S"/>
                  <bond atomRefs2="a19 a62" order="S"/>
                  <bond atomRefs2="a19 a66" order="S"/>
                  <bond atomRefs2="a19 a61" order="S"/>
                  <bond atomRefs2="a20 a52" order="S"/>
                  <bond atomRefs2="a20 a57" order="S"/>
                  <bond atomRefs2="a20 a60" order="S"/>
                  <bond atomRefs2="a20 a77" order="S"/>
                  <bond atomRefs2="a20 a50" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a21 a51" order="S"/>
                  <bond atomRefs2="a21 a55" order="S"/>
                  <bond atomRefs2="a21 a53" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a22 a68" order="S"/>
                  <bond atomRefs2="a22 a63" order="S"/>
                  <bond atomRefs2="a22 a61" order="S"/>
                  <bond atomRefs2="a22 a69" order="S"/>
                  <bond atomRefs2="a22 a71" order="S"/>
                  <bond atomRefs2="a23 a76" order="S"/>
                  <bond atomRefs2="a23 a75" order="S"/>
                  <bond atomRefs2="a23 a71" order="S"/>
                  <bond atomRefs2="a23 a73" order="S"/>
                  <bond atomRefs2="a23 a51" order="S"/>
                  <bond atomRefs2="a23 a63" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a24 a53" order="S"/>
                  <bond atomRefs2="a24 a56" order="S"/>
                  <bond atomRefs2="a25 a78" order="S"/>
                  <bond atomRefs2="a25 a73" order="S"/>
                  <bond atomRefs2="a25 a71" order="S"/>
                  <bond atomRefs2="a25 a79" order="S"/>
                  <bond atomRefs2="a26 a49" order="S"/>
                  <bond atomRefs2="a26 a42" order="S"/>
                  <bond atomRefs2="a26 a46" order="S"/>
                  <bond atomRefs2="a26 a41" order="S"/>
                  <bond atomRefs2="a26 a66" order="S"/>
                  <bond atomRefs2="a27 a58" order="S"/>
                  <bond atomRefs2="a27 a53" order="S"/>
                  <bond atomRefs2="a27 a51" order="S"/>
                  <bond atomRefs2="a27 a59" order="S"/>
                  <bond atomRefs2="a27 a73" order="S"/>
                  <bond atomRefs2="a28 a46" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a45" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a29 a59" order="S"/>
                  <bond atomRefs2="a29 a52" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a29 a76" order="S"/>
                  <bond atomRefs2="a29 a49" order="S"/>
                  <bond atomRefs2="a30 a54" order="S"/>
                  <bond atomRefs2="a30 a60" order="S"/>
                  <bond atomRefs2="a30 a57" order="S"/>
                  <bond atomRefs2="a31 a52" order="S"/>
                  <bond atomRefs2="a31 a57" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a56" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a62" order="S"/>
                  <bond atomRefs2="a32 a67" order="S"/>
                  <bond atomRefs2="a32 a64" order="S"/>
                  <bond atomRefs2="a32 a66" order="S"/>
                  <bond atomRefs2="a32 a42" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a33 a43" order="S"/>
                  <bond atomRefs2="a33 a46" order="S"/>
                  <bond atomRefs2="a33 a56" order="S"/>
                  <bond atomRefs2="a34 a79" order="S"/>
                  <bond atomRefs2="a34 a74" order="S"/>
                  <bond atomRefs2="a34 a73" order="S"/>
                  <bond atomRefs2="a34 a76" order="S"/>
                  <bond atomRefs2="a34 a59" order="S"/>
                  <bond atomRefs2="a35 a72" order="S"/>
                  <bond atomRefs2="a35 a77" order="S"/>
                  <bond atomRefs2="a35 a74" order="S"/>
                  <bond atomRefs2="a35 a76" order="S"/>
                  <bond atomRefs2="a35 a52" order="S"/>
                  <bond atomRefs2="a35 a64" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a44" order="S"/>
                  <bond atomRefs2="a36 a46" order="S"/>
                  <bond atomRefs2="a37 a49" order="S"/>
                  <bond atomRefs2="a37 a50" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a64" order="S"/>
                  <bond atomRefs2="a37 a52" order="S"/>
                  <bond atomRefs2="a38 a78" order="S"/>
                  <bond atomRefs2="a38 a73" order="S"/>
                  <bond atomRefs2="a38 a75" order="S"/>
                  <bond atomRefs2="a38 a58" order="S"/>
                  <bond atomRefs2="a39 a48" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a39 a63" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a40 a66" order="S"/>
                  <bond atomRefs2="a40 a63" order="S"/>
                  <bond atomRefs2="a40 a65" order="S"/>
                  <bond atomRefs2="a40 a61" order="S"/>
                  <bond atomRefs2="a40 a41" 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:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="5">PAW_PBE Ni 02Aug2007|PAW_PBE Mg 13Apr2007|PAW_PBE Cu 22Jun2005|PAW_PBE Zn 06Sep2000|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="5">Ni Mg Cu Zn O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">58.690 24.305 63.546 65.390 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">10.000 2.000 11.000 12.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">10 10 10 10 40</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="728">-18.7318 -18.4887 -18.3704 -18.3378 -18.1711 -18.1533 -18.0501 -17.9468 -17.8876 -17.8675 -17.8527 -17.8100 -17.7803 -17.7433 -17.6731 -17.6417 -17.6036 -17.5893 -17.5613 -17.5236 -17.5045 -17.4840 -17.4656 -17.4216 -17.4015 -17.3842 -17.3670 -17.3531 -17.3098 -17.2970 -17.2660 -17.2162 -17.2045 -17.1607 -17.1447 -17.1163 -17.0657 -17.0293 -17.0203 -16.8715 -6.8905 -6.7447 -6.7006 -6.5973 -6.5504 -6.4623 -6.3970 -6.3727 -6.3377 -6.2668 -6.2370 -6.1853 -6.1358 -6.1195 -6.0702 -6.0596 -6.0440 -6.0144 -5.9836 -5.9664 -5.9242 -5.9016 -5.8681 -5.8592 -5.8304 -5.8225 -5.8046 -5.7850 -5.7783 -5.7375 -5.7168 -5.6896 -5.6826 -5.6605 -5.6403 -5.6151 -5.6026 -5.5795 -5.5736 -5.5555 -5.5365 -5.4934 -5.4832 -5.4421 -5.4291 -5.3909 -5.3704 -5.3555 -5.3210 -5.2874 -5.2532 -5.2469 -5.2157 -5.2001 -5.1605 -5.1422 -5.1157 -5.0921 -5.0471 -5.0217 -4.9988 -4.9815 -4.9506 -4.9297 -4.9090 -4.8575 -4.8233 -4.8079 -4.7773 -4.7477 -4.7141 -4.6924 -4.6639 -4.6304 -4.5784 -4.5541 -4.5383 -4.4775 -4.4657 -4.4416 -4.4219 -4.3836 -4.3727 -4.3503 -4.3088 -4.2946 -4.2837 -4.2565 -4.2390 -4.2160 -4.1568 -4.1364 -4.1216 -4.0960 -4.0749 -4.0604 -4.0283 -4.0132 -3.9866 -3.9693 -3.9456 -3.9159 -3.8974 -3.8636 -3.8494 -3.8176 -3.8037 -3.7760 -3.7632 -3.7505 -3.7141 -3.7010 -3.6634 -3.6411 -3.6298 -3.5992 -3.5734 -3.5350 -3.4961 -3.4627 -3.4124 -3.4012 -3.3810 -3.3701 -3.3454 -3.3173 -3.2858 -3.2447 -3.2017 -3.1710 -3.1397 -3.1074 -3.0496 -3.0107 -2.9694 -2.9239 -2.8822 -2.8577 -2.8019 -2.7743 -2.7415 -2.7242 -2.6751 -2.6609 -2.6187 -2.5943 -2.5669 -2.5321 -2.5206 -2.4795 -2.4404 -2.4200 -2.3953 -2.3420 -2.2677 -2.2250 -2.1802 -2.1469 -2.1061 -2.0574 -2.0295 -1.9908 -1.9645 -1.9057 -1.8777 -1.8283 -1.7568 -1.7353 -1.7035 -1.6914 -1.6721 -1.6495 -1.6156 -1.6043 -1.5796 -1.5665 -1.5424 -1.5288 -1.5061 -1.4894 -1.4818 -1.4562 -1.4385 -1.4217 -1.4065 -1.3752 -1.3699 -1.3540 -1.3470 -1.3197 -1.3070 -1.2938 -1.2622 -1.2488 -1.2391 -1.2252 -1.2152 -1.1910 -1.1852 -1.1725 -1.1423 -1.1372 -1.1284 -1.1114 -1.1042 -1.0832 -1.0643 -1.0535 -1.0268 -1.0154 -1.0085 -0.9919 -0.9727 -0.9642 -0.9567 -0.9519 -0.9444 -0.9218 -0.9072 -0.9010 -0.8858 -0.8566 -0.8494 -0.8437 -0.8264 -0.8052 -0.7957 -0.7755 -0.7636 -0.7448 -0.7245 -0.7150 -0.7055 -0.6783 -0.6704 -0.6521 -0.6248 -0.6051 -0.5786 -0.5597 -0.5470 -0.5154 -0.4563 -0.3791 -0.3076 -0.3003 -0.2434 -0.1614 -0.1459 -0.1138 -0.0943 -0.0608 -0.0469 -0.0112 0.0890 0.0941 0.1953 0.2077 0.2658 0.3397 0.4120 0.4334 0.4660 0.4814 0.5211 0.6538 0.6922 0.7716 0.8804 0.9778 2.3826 2.7046 3.6614 3.8293 3.9841 4.0867 4.1623 4.6686 4.7125 4.7385 4.8743 4.9312 5.0048 5.3027 5.4479 5.5686 5.5913 5.6375 5.7195 5.7409 5.8112 5.8464 5.9135 5.9735 6.0099 6.0274 6.0662 6.1472 6.2542 6.4371 6.4603 6.6059 6.6879 6.7560 6.8180 6.8465 6.8830 7.0020 7.0421 7.1003 7.1693 7.2018 7.2773 7.3273 7.4495 7.5272 7.5887 7.6440 7.6676 7.8190 7.9350 7.9962 8.0569 8.1108 -18.7310 -18.4869 -18.3924 -18.3264 -18.1516 -18.1258 -18.0747 -17.9602 -17.9258 -17.8821 -17.8442 -17.8061 -17.7462 -17.7026 -17.6691 -17.6427 -17.6313 -17.6050 -17.5617 -17.5195 -17.5033 -17.4856 -17.4636 -17.4228 -17.4093 -17.3815 -17.3630 -17.3569 -17.3124 -17.2890 -17.2622 -17.2277 -17.1962 -17.1547 -17.1536 -17.1104 -17.0677 -17.0312 -17.0203 -16.8714 -6.8912 -6.7425 -6.6972 -6.5979 -6.5545 -6.4596 -6.3942 -6.3736 -6.3402 -6.2714 -6.2315 -6.1725 -6.1386 -6.1112 -6.0814 -6.0677 -6.0431 -6.0102 -5.9848 -5.9740 -5.9296 -5.8961 -5.8798 -5.8670 -5.8575 -5.8282 -5.8054 -5.7809 -5.7603 -5.7427 -5.7232 -5.6948 -5.6798 -5.6709 -5.6344 -5.6185 -5.5994 -5.5752 -5.5624 -5.5490 -5.5381 -5.5066 -5.4634 -5.4415 -5.4153 -5.3951 -5.3593 -5.3377 -5.3203 -5.2771 -5.2550 -5.2249 -5.2094 -5.1824 -5.1624 -5.1124 -5.0941 -5.0753 -5.0541 -5.0361 -5.0078 -4.9900 -4.9490 -4.9338 -4.9240 -4.8926 -4.8321 -4.7953 -4.7876 -4.7616 -4.7206 -4.6937 -4.6608 -4.6462 -4.5997 -4.5420 -4.5297 -4.5232 -4.4705 -4.4349 -4.4053 -4.3972 -4.3840 -4.3555 -4.3247 -4.3014 -4.2929 -4.2348 -4.2223 -4.2053 -4.1933 -4.1660 -4.1337 -4.1015 -4.0741 -4.0620 -4.0417 -4.0213 -3.9947 -3.9726 -3.9358 -3.9103 -3.9001 -3.8751 -3.8428 -3.8330 -3.8151 -3.7848 -3.7508 -3.7293 -3.6973 -3.6781 -3.6416 -3.6154 -3.5843 -3.5747 -3.5358 -3.5191 -3.4966 -3.4532 -3.4440 -3.4133 -3.3718 -3.3482 -3.3052 -3.2802 -3.2669 -3.2168 -3.1932 -3.1659 -3.1260 -3.0872 -3.0545 -3.0145 -2.9749 -2.9334 -2.9089 -2.8752 -2.8349 -2.7715 -2.7559 -2.7165 -2.6969 -2.6695 -2.6477 -2.6313 -2.5961 -2.5476 -2.5311 -2.4849 -2.4434 -2.4284 -2.3881 -2.3417 -2.3048 -2.2546 -2.1994 -2.1721 -2.1282 -2.0843 -2.0484 -1.9883 -1.9286 -1.9089 -1.8472 -1.8040 -1.7634 -1.7288 -1.7108 -1.6821 -1.6694 -1.6323 -1.5924 -1.5786 -1.5642 -1.5403 -1.5336 -1.5135 -1.5003 -1.4862 -1.4767 -1.4502 -1.4371 -1.4176 -1.4023 -1.3895 -1.3755 -1.3484 -1.3363 -1.3083 -1.3050 -1.2913 -1.2753 -1.2592 -1.2444 -1.2235 -1.2143 -1.2043 -1.1954 -1.1751 -1.1564 -1.1415 -1.1310 -1.1078 -1.0939 -1.0794 -1.0636 -1.0465 -1.0365 -1.0278 -1.0088 -0.9954 -0.9853 -0.9720 -0.9507 -0.9452 -0.9205 -0.9092 -0.8966 -0.8825 -0.8615 -0.8584 -0.8426 -0.8317 -0.8236 -0.8008 -0.7914 -0.7754 -0.7592 -0.7401 -0.7302 -0.7178 -0.7013 -0.6796 -0.6634 -0.6409 -0.6372 -0.5988 -0.5771 -0.5666 -0.5487 -0.5098 -0.4563 -0.4374 -0.3708 -0.3097 -0.2344 -0.1573 -0.1330 -0.1278 -0.0974 -0.0599 -0.0441 -0.0107 0.0642 0.0943 0.1876 0.2161 0.2971 0.3414 0.4178 0.4394 0.4540 0.4887 0.5211 0.6543 0.6915 0.7733 0.8731 0.9787 2.3819 2.7045 3.6609 3.7967 4.0266 4.0803 4.1702 4.6604 4.6955 4.7401 4.9085 4.9308 5.0068 5.2906 5.4346 5.5654 5.6068 5.6530 5.6981 5.7289 5.7891 5.8768 5.8869 5.9398 5.9932 6.0328 6.1204 6.1517 6.2666 6.4377 6.4778 6.6346 6.6842 6.7570 6.7854 6.8509 6.9007 6.9611 7.0029 7.1136 7.1522 7.2053 7.2883 7.3377 7.4391 7.5467 7.5748 7.6512 7.6958 7.8361 7.9606 7.9900 8.0496 8.1356</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 0.99865 0.97180 0.18515 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.99994 0.91834 0.18506 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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">-18.6211 -18.3084 -18.2495 -18.2192 -18.0111 -17.9606 -17.9216 -17.7908 -17.7713 -17.7436 -17.6958 -17.6429 -17.5973 -17.5844 -17.5622 -17.5308 -17.5129 -17.4796 -17.4518 -17.4148 -17.3962 -17.3859 -17.3745 -17.3494 -17.2981 -17.2359 -17.2180 -17.1557 -17.1342 -17.0969 -17.0928 -17.0442 -17.0321 -16.9941 -16.9515 -16.9234 -16.8937 -16.8598 -16.7765 -16.7617 -6.8232 -6.6922 -6.6498 -6.5531 -6.4619 -6.4075 -6.3586 -6.3087 -6.2878 -6.2153 -6.1747 -6.1078 -6.0727 -6.0475 -5.9934 -5.9763 -5.9631 -5.9411 -5.9330 -5.8941 -5.8621 -5.8331 -5.8246 -5.7919 -5.7884 -5.7580 -5.7476 -5.7264 -5.7049 -5.6735 -5.6552 -5.6329 -5.6253 -5.5952 -5.5791 -5.5542 -5.5348 -5.5217 -5.5055 -5.4891 -5.4724 -5.4256 -5.4138 -5.3867 -5.3640 -5.3141 -5.3088 -5.2732 -5.2414 -5.2115 -5.1986 -5.1822 -5.1559 -5.1224 -5.0920 -5.0730 -5.0222 -4.9890 -4.9606 -4.9353 -4.8995 -4.8585 -4.8393 -4.8094 -4.7854 -4.7623 -4.7313 -4.6796 -4.6403 -4.6084 -4.5796 -4.5492 -4.5157 -4.4805 -4.4504 -4.4078 -4.3742 -4.3506 -4.3114 -4.3037 -4.2721 -4.2494 -4.2023 -4.1678 -4.1423 -4.1025 -4.0779 -4.0236 -3.9989 -3.9847 -3.9708 -3.9207 -3.9051 -3.8477 -3.8282 -3.8096 -3.7819 -3.7449 -3.7009 -3.6847 -3.6689 -3.6177 -3.5972 -3.5812 -3.5350 -3.5095 -3.4944 -3.4471 -3.4427 -3.4219 -3.4027 -3.3738 -3.3637 -3.3267 -3.3019 -3.2711 -3.2495 -3.2388 -3.2206 -3.2167 -3.1726 -3.1502 -3.1255 -3.1058 -3.0640 -3.0412 -3.0099 -2.9818 -2.9356 -2.8879 -2.8420 -2.8132 -2.8009 -2.7647 -2.7058 -2.6741 -2.6437 -2.6294 -2.5853 -2.5563 -2.5234 -2.4974 -2.4576 -2.4462 -2.4059 -2.3656 -2.3444 -2.3093 -2.2877 -2.2831 -2.2318 -2.2035 -2.1527 -2.1002 -2.0543 -2.0090 -1.9589 -1.9148 -1.8982 -1.8731 -1.8361 -1.8162 -1.7360 -1.7086 -1.6927 -1.6609 -1.6427 -1.5722 -1.5626 -1.5231 -1.4715 -1.4307 -1.3986 -1.3801 -1.3424 -1.3241 -1.3006 -1.2832 -1.2483 -1.2205 -1.2090 -1.1880 -1.1659 -1.1562 -1.1324 -1.1063 -1.0900 -1.0698 -1.0484 -1.0183 -1.0073 -1.0010 -0.9768 -0.9506 -0.9386 -0.9330 -0.9084 -0.8801 -0.8726 -0.8488 -0.8179 -0.7331 -0.7061 -0.6713 -0.6150 -0.5594 -0.4833 -0.4578 -0.4513 -0.4140 -0.3903 -0.3667 -0.3121 -0.2812 -0.2612 -0.2514 -0.2251 -0.2120 -0.1957 -0.1801 -0.1739 -0.1561 -0.1515 -0.1305 -0.1211 -0.1112 -0.0922 -0.0681 -0.0625 -0.0358 -0.0277 -0.0086 0.0043 0.0204 0.0508 0.0573 0.0749 0.0812 0.1005 0.1228 0.2290 0.2430 0.3305 0.4114 0.4397 0.4983 0.6101 0.6997 0.7649 0.8069 0.8504 0.9170 0.9433 0.9699 1.0229 1.0594 1.1123 1.1814 1.2663 1.5096 1.5385 1.5646 1.6511 1.6744 1.6964 1.7098 1.8131 1.9436 1.9980 2.2386 2.5330 2.8490 3.7401 4.0392 4.1796 4.2320 4.3122 4.7367 4.7938 4.8849 4.9409 4.9806 5.1597 5.4763 5.5111 5.6544 5.7051 5.7845 5.8421 5.8826 5.9462 5.9774 5.9994 6.0438 6.0704 6.1097 6.1579 6.3623 6.4532 6.5111 6.6442 6.7350 6.7580 6.8235 6.8801 6.9065 6.9575 7.0876 7.1156 7.1645 7.2399 7.2667 7.3613 7.4025 7.5353 7.6064 7.6434 7.7070 7.7460 7.8788 7.9700 8.0088 8.1343 8.1834 -18.6210 -18.3090 -18.2524 -18.2156 -18.0111 -17.9599 -17.9201 -17.7996 -17.7720 -17.7379 -17.6958 -17.6357 -17.6071 -17.5726 -17.5636 -17.5346 -17.5169 -17.4761 -17.4565 -17.4189 -17.3945 -17.3800 -17.3754 -17.3482 -17.2995 -17.2386 -17.2135 -17.1514 -17.1409 -17.1032 -17.0797 -17.0546 -17.0305 -16.9919 -16.9491 -16.9285 -16.8883 -16.8608 -16.7778 -16.7615 -6.8237 -6.6894 -6.6465 -6.5542 -6.4657 -6.4077 -6.3546 -6.3147 -6.2846 -6.2119 -6.1766 -6.1044 -6.0723 -6.0379 -5.9995 -5.9871 -5.9674 -5.9406 -5.9176 -5.8987 -5.8587 -5.8442 -5.8285 -5.8073 -5.7923 -5.7742 -5.7313 -5.7256 -5.7024 -5.6860 -5.6559 -5.6384 -5.6286 -5.6046 -5.5817 -5.5622 -5.5348 -5.5134 -5.4981 -5.4872 -5.4717 -5.4446 -5.3995 -5.3836 -5.3591 -5.3226 -5.2878 -5.2670 -5.2319 -5.2083 -5.1771 -5.1621 -5.1315 -5.1199 -5.0838 -5.0420 -5.0117 -4.9822 -4.9647 -4.9266 -4.8956 -4.8701 -4.8524 -4.8403 -4.7944 -4.7842 -4.7132 -4.6870 -4.6509 -4.6178 -4.5878 -4.5437 -4.5186 -4.5010 -4.4622 -4.4147 -4.3878 -4.3563 -4.3399 -4.2846 -4.2693 -4.2365 -4.2095 -4.1629 -4.1456 -4.0901 -4.0751 -4.0365 -4.0004 -3.9928 -3.9709 -3.9164 -3.8955 -3.8362 -3.8254 -3.8204 -3.7905 -3.7634 -3.7324 -3.6763 -3.6550 -3.6305 -3.6086 -3.5765 -3.5519 -3.5080 -3.5021 -3.4824 -3.4519 -3.4233 -3.4021 -3.3583 -3.3369 -3.3195 -3.2941 -3.2493 -3.2341 -3.2199 -3.2041 -3.1950 -3.1553 -3.1440 -3.1143 -3.0756 -3.0485 -3.0426 -3.0006 -2.9707 -2.9442 -2.8856 -2.8560 -2.8025 -2.7863 -2.7553 -2.7359 -2.6908 -2.6506 -2.6252 -2.5810 -2.5317 -2.5040 -2.4969 -2.4817 -2.4495 -2.4286 -2.3890 -2.3588 -2.3052 -2.2856 -2.2767 -2.2044 -2.1670 -2.1443 -2.1125 -2.0861 -2.0260 -2.0108 -1.9547 -1.8891 -1.8732 -1.8537 -1.8249 -1.7374 -1.7155 -1.6814 -1.6642 -1.6287 -1.5916 -1.5346 -1.5147 -1.4839 -1.4300 -1.4004 -1.3481 -1.3401 -1.3087 -1.3006 -1.2766 -1.2507 -1.2263 -1.2158 -1.2039 -1.1732 -1.1598 -1.1472 -1.1279 -1.0884 -1.0653 -1.0551 -1.0475 -1.0108 -0.9931 -0.9880 -0.9609 -0.9292 -0.9224 -0.9058 -0.8883 -0.8669 -0.8463 -0.7993 -0.7283 -0.7024 -0.6828 -0.6192 -0.5488 -0.4679 -0.4355 -0.4165 -0.3679 -0.3466 -0.3249 -0.3191 -0.2820 -0.2757 -0.2589 -0.2327 -0.2264 -0.2074 -0.1906 -0.1772 -0.1658 -0.1577 -0.1401 -0.1305 -0.1120 -0.0997 -0.0737 -0.0459 -0.0426 -0.0340 -0.0292 -0.0145 0.0065 0.0346 0.0600 0.0841 0.1014 0.1267 0.1401 0.2219 0.2483 0.3317 0.4173 0.4502 0.4798 0.6209 0.6894 0.7654 0.8052 0.8567 0.9194 0.9327 0.9696 1.0236 1.0620 1.1077 1.1866 1.2634 1.4920 1.5339 1.5736 1.6523 1.6659 1.7008 1.7066 1.8129 1.8613 2.0868 2.2330 2.5340 2.8510 3.7413 3.9349 4.1897 4.3394 4.3575 4.7259 4.7956 4.8461 4.9456 4.9767 5.1514 5.4183 5.4986 5.6296 5.7273 5.7895 5.8394 5.8997 5.9672 5.9840 6.0069 6.0231 6.0626 6.1086 6.2535 6.3558 6.4334 6.5239 6.6846 6.7284 6.7377 6.8150 6.8367 6.9129 6.9613 7.0486 7.0981 7.1662 7.2253 7.2800 7.3620 7.4279 7.5126 7.6141 7.6306 7.7295 7.7729 7.8971 7.9850 8.0121 8.1264 8.2092</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 0.76290 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.99998 0.97819 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
               </module>
               <module cmlx:templateRef="forces" id="forces">
                  <matrix cols="240"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="22"
                          units="nonsi2:ev.angstrom-1">0.068745 -0.003332 -0.219611 -0.000186 0.092343 0.316500 0.018626 0.142476 0.160752 0.071782 0.010812 0.186743 0.083651 0.026930 0.344579 -0.056061 0.034011 -0.338679 -0.125531 -0.049500 -0.143841 0.034115 0.071452 0.059814 0.055237 0.135996 0.216506 0.046731 0.049781 -0.347503 -0.175017 -0.076925 -0.238960 -0.171797 0.074756 -0.239204 0.160077 0.046534 -0.429562 0.120318 -0.195967 0.005292 0.017983 0.052379 0.551006 0.002617 -0.050015 0.129651 -0.134239 0.060905 0.452202 0.103912 -0.057224 0.626094 -0.159959 0.093159 -0.223654 0.249880 -0.079393 -0.311727 0.006677 0.057635 -0.228412 0.048991 -0.080877 -0.263957 -0.077802 -0.036038 -0.219639 0.044074 0.074226 0.120147 -0.059567 0.075077 -0.204605 -0.128294 -0.057124 -0.022074 -0.048485 -0.121940 -0.203645 -0.009721 0.086107 -0.193660 0.128416 -0.024009 -0.128507 0.036432 0.019968 0.551947 0.163664 0.103937 0.172117 0.040279 -0.094971 0.129392 -0.043548 0.040001 -0.161381 0.012310 -0.112243 -0.211910 -0.043395 -0.102494 0.134924 -0.165285 0.094622 0.194388 0.000776 0.043873 0.032767 0.002242 -0.070706 -0.074636 0.035515 0.005119 -0.157582 0.056800 -0.091882 -0.153686 -0.013315 0.073654 -0.402375 -0.406164 0.018538 0.260377 0.053207 0.124758 -0.215937 -0.019559 -0.509462 0.284174 -0.093511 -0.032279 -0.266378 -0.016315 -0.472376 -0.153014 0.039241 -0.096814 0.359048 -0.108560 -0.052721 -0.473601 0.091323 0.335825 -0.044922 0.131841 0.048855 0.717262 0.084249 -0.011177 -0.105137 0.441408 0.042166 0.405961 -0.068379 -0.060635 -0.147594 0.010944 -0.150515 -0.700326 0.079923 -0.038232 -0.233428 0.034196 0.101076 -0.166155 -0.104584 -0.035822 0.517946 -0.013940 -0.178641 -0.430454 -0.099927 0.401440 0.426216 0.024882 0.365232 -0.056819 -0.069228 -0.067064 -0.049270 -0.110808 -0.005749 0.033175 -0.001232 -0.154217 -0.013123 -0.008274 0.503239 0.016180 0.094968 0.057509 -0.433517 0.261132 0.504746 0.058707 -0.374144 0.090702 0.405399 -0.018560 -0.055846 -0.467028 -0.031485 -0.294947 0.520231 -0.083667 -0.030665 0.107771 0.057603 -0.011075 0.050712 0.100659 -0.041190 -0.001111 0.026170 0.081689 0.180058 -0.011956 0.144577 0.407834 -0.157530 -0.049987 -0.172652 -0.315971 -0.123117 -0.144018 0.251712 0.042253 0.540120 0.028281 0.154730 -0.158272 0.012812 -0.419491 0.147874 0.091595 -0.386421 -0.272301 0.026132 0.019066 -0.056902 0.001801 0.088796 0.326825 0.007023 -0.034917 0.084498 0.066911 0.005692 0.306337 0.083628 0.019831 0.389020 -0.012113 -0.000457 -0.279995 -0.040499 -0.002700 -0.061990 0.026037 0.055993 0.041467 0.041367 0.135666 0.281526 -0.007749 -0.001679 -0.210827 -0.084512 -0.045546 -0.022237 -0.081862 0.044214 -0.023926 -0.021208 -0.011616 -0.181568 -0.004165 -0.024093 -0.002403 0.014667 -0.027401 0.549590 -0.009533 -0.005665 0.023219 -0.120120 0.071406 0.421590 0.028845 -0.063901 0.597262 0.018302 0.004734 -0.052645 0.131621 0.002757 -0.041267 -0.011815 0.024083 -0.280543 0.034772 -0.108892 -0.180294 -0.089454 -0.011121 -0.221804 -0.010068 0.112487 -0.073381 -0.047424 0.073203 -0.173806 -0.068821 -0.002872 -0.057686 -0.059496 -0.112133 -0.136520 0.012904 0.075273 -0.240536 0.047599 -0.014831 0.012862 0.035983 -0.022197 0.400887 0.067957 0.017728 0.101154 -0.049904 0.005915 0.068770 0.007976 0.020769 -0.065864 -0.016191 -0.081035 -0.059171 0.048983 -0.028465 0.069171 -0.068144 -0.012742 0.146348 0.027917 -0.003533 0.038682 0.005554 -0.066453 -0.066890 0.037524 0.020651 -0.122532 0.075471 -0.074963 -0.123280 0.053375 0.039506 -0.200943 -0.105342 -0.010788 0.119058 0.045694 0.065860 -0.191789 0.007070 -0.124299 0.114908 -0.089863 -0.019427 -0.251488 -0.001290 -0.241206 -0.070921 -0.246556 -0.032273 0.284309 -0.063807 -0.055605 -0.523066 -0.056025 0.201959 0.171510 0.047769 0.046116 0.292284 0.006534 -0.022444 -0.278468 0.176740 -0.000579 0.215256 -0.048834 0.012195 -0.026541 -0.003958 -0.050650 -0.517334 0.084572 0.009231 -0.233180 -0.007070 -0.380147 -0.090694 0.189813 -0.015893 0.303445 -0.056041 -0.197319 -0.395795 0.079081 0.140153 0.277242 0.049312 0.225489 -0.052718 -0.049796 -0.022180 -0.139976 -0.064385 0.018613 0.082590 -0.018248 -0.037144 -0.088223 0.007854 0.129737 0.095159 0.115454 0.037282 -0.456120 0.188224 0.237982 0.073779 -0.304320 0.034143 0.278750 0.009293 -0.013082 -0.601072 0.042812 -0.116610 0.399279 -0.013421 -0.059666 0.100869 0.042129 0.009207 0.023241 0.069908 0.001934 0.014639 0.033176 -0.021385 0.102572 -0.020432 0.078323 0.213558 -0.161695 -0.086598 -0.184914 -0.194186 0.365834 -0.073839 0.207187 0.040871 0.304608 0.031901 0.184804 -0.210298 -0.035339 -0.147578 0.158989 0.006815 -0.265421 -0.161809 0.011072 0.019341 -0.017335 0.001527 0.090440 0.326514 0.005479 -0.062660 0.059983 0.068512 0.005865 0.306016 0.084122 0.019799 0.389269 -0.006689 -0.002526 -0.259571 -0.029347 0.003523 -0.032820 0.016925 0.067726 0.038231 0.041368 0.136708 0.282780 -0.014494 -0.005726 -0.180974 -0.066427 -0.038260 0.020998 -0.065437 0.037100 0.017782 -0.037956 -0.019720 -0.133864 -0.016600 -0.002660 0.003243 0.014814 -0.028143 0.547209 -0.009637 0.004203 0.010806 -0.121296 0.071817 0.418937 0.028560 -0.063998 0.595373 0.033446 -0.010170 -0.023036 0.109876 0.013728 0.012698 -0.010603 0.027875 -0.288475 0.030350 -0.113231 -0.167941 -0.092623 -0.014888 -0.224929 -0.010396 0.105098 -0.106969 -0.043717 0.073545 -0.170895 -0.064759 0.007068 -0.054154 -0.061623 -0.115221 -0.132614 0.011572 0.073465 -0.245702 0.042901 -0.009757 0.029336 0.030372 -0.025732 0.379425 0.053576 -0.000452 0.097970 -0.067095 0.024785 0.055213 0.008647 0.007625 -0.039603 -0.012271 -0.070134 -0.028200 0.065752 -0.012948 0.066374 -0.053299 -0.033653 0.134193 0.031752 -0.011031 0.047185 0.005636 -0.067197 -0.068495 0.038281 0.025547 -0.126361 0.079455 -0.074024 -0.116407 0.047968 0.038750 -0.191068 -0.049544 -0.019135 0.095314 0.046404 0.064636 -0.189232 0.009992 -0.059303 0.084592 -0.090209 -0.018630 -0.248406 0.002379 -0.202883 -0.057434 -0.267186 -0.022999 0.263078 -0.063780 -0.056669 -0.521004 -0.065298 0.171210 0.200664 0.031528 0.048678 0.221171 0.012455 -0.022958 -0.289508 0.127764 -0.011491 0.184005 -0.048871 0.014088 -0.011241 -0.005489 -0.038801 -0.472719 0.084832 0.009243 -0.230755 -0.012504 -0.377501 -0.074976 0.212924 -0.020893 0.270325 -0.056553 -0.197598 -0.401530 0.091089 0.138608 0.253256 0.055359 0.205871 -0.051758 -0.048211 -0.020760 -0.152129 -0.065593 0.026169 0.083687 -0.018364 -0.034339 -0.095330 0.010163 0.066242 0.111984 0.115580 0.037005 -0.454298 0.178505 0.197260 0.071993 -0.281473 0.026678 0.252604 0.009836 -0.011941 -0.604626 0.058790 -0.086395 0.353038 -0.008864 -0.064980 0.093700 0.040544 0.009760 0.015157 0.070993 0.010324 0.005507 0.032575 -0.022380 0.092435 -0.021357 0.073280 0.174687 -0.161621 -0.086670 -0.182431 -0.180953 0.360297 -0.063525 0.190701 0.045871 0.262693 0.031073 0.185078 -0.211097 -0.046796 -0.140196 0.149803 0.001481 -0.245647 -0.157814 -0.013564 0.019841 0.062874 0.001303 0.092990 0.325071 0.003420 -0.114564 0.010910 0.071893 0.006043 0.305827 0.084775 0.019440 0.389469 0.001964 -0.003811 -0.217840 -0.008183 0.017264 0.030289 -0.002959 0.092459 0.033357 0.041080 0.138407 0.284463 -0.025478 -0.012116 -0.122253 -0.033818 -0.022202 0.107787 -0.036977 0.020669 0.100352 -0.069231 -0.035849 -0.041999 -0.045433 0.043714 0.019232 0.015039 -0.029890 0.542252 -0.009760 0.025383 -0.011576 -0.123801 0.072218 0.415544 0.028153 -0.064276 0.591279 0.064029 -0.044655 0.036264 0.067756 0.034623 0.124078 -0.007866 0.034794 -0.305075 0.021405 -0.121830 -0.143597 -0.098130 -0.022306 -0.231399 -0.009644 0.090438 -0.179594 -0.036144 0.073796 -0.165017 -0.056891 0.026673 -0.046935 -0.064246 -0.121675 -0.124027 0.008700 0.071150 -0.255780 0.031781 0.000660 0.062692 0.020874 -0.032596 0.340675 0.023495 -0.035507 0.095676 -0.101180 0.062351 0.027274 0.008251 -0.016855 0.007947 -0.002812 -0.046046 0.032277 0.098957 0.018009 0.061386 -0.025600 -0.075291 0.113890 0.038143 -0.025683 0.064318 0.005983 -0.069004 -0.072041 0.038654 0.034729 -0.134055 0.086907 -0.073819 -0.101831 0.038737 0.037759 -0.182147 0.055028 -0.032927 0.058333 0.047341 0.061033 -0.184568 0.013961 0.076871 0.018333 -0.090306 -0.017623 -0.243155 0.007937 -0.136047 -0.029010 -0.307737 -0.003681 0.225336 -0.065951 -0.058898 -0.517463 -0.086188 0.104431 0.258903 -0.006023 0.052823 0.075271 0.023348 -0.023279 -0.311778 0.026693 -0.029373 0.120311 -0.048735 0.016127 0.020252 -0.008642 -0.014041 -0.362654 0.084725 0.007135 -0.226329 -0.020630 -0.376016 -0.042838 0.267092 -0.022707 0.189579 -0.055305 -0.197289 -0.413849 0.117242 0.124643 0.195003 0.072781 0.154868 -0.046994 -0.046527 -0.019090 -0.176052 -0.066291 0.038592 0.088938 -0.018101 -0.028452 -0.108033 0.012116 -0.074107 0.146581 0.115701 0.036647 -0.450810 0.154947 0.124638 0.071370 -0.230685 0.008764 0.196190 0.010098 -0.010565 -0.612190 0.084961 -0.019549 0.248557 -0.001040 -0.077551 0.076554 0.038760 0.009625 -0.001306 0.074764 0.024854 -0.012320 0.031290 -0.023135 0.074591 -0.022852 0.067394 0.090932 -0.161206 -0.085647 -0.177352 -0.145749 0.356286 -0.038171 0.166325 0.052300 0.174462 0.030153 0.184252 -0.213313 -0.070085 -0.120054 0.129845 -0.012789 -0.196689 -0.141170 -0.069948 0.019450 0.221750 0.001246 0.097434 0.321852 -0.001139 -0.226944 -0.091680 0.078947 0.006825 0.306132 0.085942 0.018760 0.389931 0.025011 -0.015268 -0.123397 0.040408 0.038581 0.157956 -0.040220 0.146026 0.027095 0.041442 0.142089 0.287806 -0.053639 -0.031340 0.005997 0.034204 0.005022 0.285809 0.019486 -0.007330 0.265954 -0.130214 -0.065637 0.140484 -0.103429 0.133633 0.058697 0.016043 -0.032853 0.532450 -0.009284 0.071456 -0.047622 -0.128488 0.072914 0.409909 0.027892 -0.064704 0.583090 0.123124 -0.114781 0.150745 -0.016739 0.069318 0.362973 -0.002327 0.050821 -0.336522 0.004425 -0.138080 -0.098900 -0.109563 -0.038930 -0.244477 -0.007116 0.066708 -0.343659 -0.021100 0.074565 -0.156242 -0.037281 0.061072 -0.032650 -0.069238 -0.135274 -0.108790 0.003614 0.068569 -0.273540 0.008906 0.019828 0.124763 0.001192 -0.046239 0.281914 -0.034190 -0.102779 0.093375 -0.167038 0.135134 -0.035172 0.008713 -0.067399 0.092913 0.018153 0.007986 0.151408 0.163345 0.078597 0.046263 0.030697 -0.150627 0.078496 0.049496 -0.055228 0.092038 0.006567 -0.072115 -0.079210 0.040415 0.052452 -0.148841 0.102668 -0.074105 -0.072450 0.022474 0.033467 -0.166400 0.273019 -0.061573 -0.024966 0.051822 0.053422 -0.176077 0.022632 0.351976 -0.112415 -0.089021 -0.015452 -0.230898 0.019574 0.008934 0.021304 -0.391349 0.039083 0.153999 -0.069335 -0.063001 -0.509518 -0.126443 -0.009795 0.362956 -0.074847 0.059619 -0.210819 0.043349 -0.025541 -0.364759 -0.173354 -0.068150 -0.022639 -0.050366 0.018803 0.082109 -0.011894 0.029148 -0.162179 0.083564 0.003801 -0.214642 -0.035571 -0.379014 0.016846 0.365793 -0.030827 0.046273 -0.053390 -0.195692 -0.436741 0.162768 0.077077 0.082089 0.108077 0.070557 -0.030434 -0.043365 -0.014208 -0.224015 -0.067422 0.063316 0.084482 -0.015531 -0.015598 -0.131792 0.015584 -0.343766 0.210304 0.117280 0.036319 -0.441934 0.112290 -0.020750 0.063198 -0.134047 -0.026742 0.092031 0.011247 -0.007985 -0.625391 0.136919 0.102256 0.044284 0.012283 -0.103805 0.045506 0.036178 0.011205 -0.039352 0.077994 0.055402 -0.051368 0.026583 -0.023884 0.038305 -0.024755 0.060972 -0.066563 -0.160815 -0.084177 -0.165982 -0.090315 0.356299 0.003064 0.112781 0.071988 0.006116 0.028765 0.182427 -0.217128 -0.117921 -0.074070 0.100131 -0.042220 -0.119642 -0.103632 -0.049455 0.019790 0.165083 0.001312 0.096056 0.322505 -0.001357 -0.184399 -0.052688 0.076642 0.006642 0.305115 0.085644 0.018935 0.389076 0.013060 -0.010569 -0.158395 0.019889 0.030450 0.113747 -0.025701 0.126292 0.029143 0.041350 0.140564 0.285936 -0.040996 -0.021934 -0.041021 0.010434 -0.003589 0.222180 0.000729 0.001617 0.207604 -0.109943 -0.055804 0.073908 -0.082904 0.104473 0.045150 0.015918 -0.031741 0.535477 -0.009285 0.054721 -0.035761 -0.126789 0.072729 0.411629 0.027970 -0.064492 0.585559 0.104278 -0.089481 0.110431 0.014078 0.056951 0.273287 -0.004533 0.045941 -0.325127 0.010285 -0.132295 -0.114101 -0.105065 -0.033960 -0.239229 -0.008737 0.074781 -0.282868 -0.026229 0.073909 -0.159665 -0.044373 0.050234 -0.037955 -0.068056 -0.129689 -0.113735 0.005926 0.069202 -0.268355 0.017502 0.013428 0.104782 0.008493 -0.041839 0.299794 -0.013394 -0.079399 0.092809 -0.143726 0.108882 -0.012286 0.009174 -0.049675 0.063865 0.009207 -0.010367 0.110454 0.142320 0.056861 0.050630 0.011620 -0.123733 0.089810 0.046674 -0.044880 0.083332 0.006459 -0.071139 -0.077085 0.040785 0.046341 -0.143334 0.096961 -0.074059 -0.082998 0.028864 0.034675 -0.174552 0.190522 -0.049735 0.003340 0.050362 0.055651 -0.180836 0.017924 0.246811 -0.058534 -0.089250 -0.016272 -0.236237 0.011172 -0.048806 0.002664 -0.361251 0.024598 0.179704 -0.068319 -0.061271 -0.513763 -0.108877 0.035100 0.319764 -0.050522 0.055891 -0.107821 0.035096 -0.024534 -0.353116 -0.094394 -0.053310 0.043180 -0.049705 0.017105 0.060606 -0.011275 0.011026 -0.238040 0.083849 0.004810 -0.219699 -0.027391 -0.386765 -0.006618 0.329873 -0.028866 0.103749 -0.053789 -0.196283 -0.429406 0.143537 0.091887 0.123368 0.095649 0.104953 -0.034614 -0.044505 -0.015604 -0.205342 -0.066440 0.053279 0.084516 -0.015551 -0.019894 -0.122459 0.014754 -0.237110 0.185857 0.117113 0.036466 -0.445996 0.127629 0.033483 0.066284 -0.173636 -0.012211 0.130895 0.010641 -0.009196 -0.621049 0.114986 0.053896 0.116464 0.006883 -0.094877 0.056650 0.037302 0.010565 -0.025974 0.076040 0.043387 -0.037570 0.027741 -0.022886 0.051096 -0.024823 0.062872 -0.012175 -0.161157 -0.084671 -0.170909 -0.108344 0.364970 -0.009719 0.132129 0.064518 0.065598 0.029533 0.182958 -0.216600 -0.098716 -0.088727 0.114326 -0.029820 -0.153638 -0.113729 -0.032691 0.012780 0.185150 0.000787 0.098741 0.311074 -0.040062 -0.041942 -0.091430 0.081548 0.008251 0.298036 0.088717 0.017587 0.387931 -0.001093 -0.028154 -0.012801 0.026212 0.049751 0.072804 0.005967 0.046103 0.078395 0.041762 0.147881 0.283949 -0.009159 -0.028559 0.024053 0.006304 0.012165 0.195429 -0.004887 -0.018674 0.172536 -0.064118 -0.042323 0.101659 -0.016384 0.026709 0.073760 0.017114 -0.034923 0.531411 0.029971 -0.007825 0.018894 -0.129821 0.073285 0.404712 0.026538 -0.065483 0.585928 0.052149 -0.043880 0.085723 0.008707 0.054043 0.228822 -0.021684 0.039757 -0.316908 0.010656 -0.135119 -0.104620 -0.103490 -0.030652 -0.225812 -0.019840 0.023761 -0.217887 -0.031725 0.059436 -0.119330 0.024508 0.024611 0.042479 -0.081273 -0.118680 -0.106634 0.023060 0.057660 -0.263888 -0.027954 0.005672 0.103339 -0.001040 -0.043060 0.190468 0.044849 -0.053929 0.050131 -0.047511 0.010098 0.018936 0.015985 -0.000048 0.054139 -0.015118 0.034928 0.064973 0.033230 0.032411 0.024327 -0.050116 -0.023578 0.050123 0.028058 0.002354 0.094126 0.005471 -0.073009 -0.080304 0.051983 0.052089 -0.072469 0.095775 -0.068676 -0.074211 0.023807 0.036996 -0.161681 0.121938 -0.028897 0.001867 0.051361 0.060038 -0.161772 0.007136 0.148423 0.053640 -0.091233 -0.013020 -0.229873 0.009790 0.006174 0.010517 -0.235930 0.010807 0.135734 -0.073032 -0.063580 -0.509927 -0.085306 -0.005568 0.144358 -0.010890 -0.010573 -0.061399 0.041167 -0.028633 -0.298165 -0.088587 -0.028039 0.012957 -0.050185 0.020320 0.086214 -0.000813 -0.009785 -0.143505 0.086179 0.005122 -0.211721 -0.014639 -0.198146 0.006652 0.217734 0.001025 0.058286 -0.051089 -0.196836 -0.448347 0.098523 0.089158 0.037887 0.033487 0.076779 0.022357 -0.044715 -0.020552 -0.194232 0.010189 0.025210 0.013243 -0.021344 -0.016376 -0.125962 0.007739 -0.138988 0.181075 0.117897 0.035284 -0.440100 0.072352 -0.014681 0.045236 -0.097447 -0.008466 0.068129 0.009350 -0.008184 -0.640074 0.029715 0.085211 0.031003 0.010426 0.001415 0.024624 0.038742 0.011886 -0.066595 0.007201 0.021448 0.021017 0.033204 -0.024737 0.065897 -0.007458 0.007103 -0.032784 -0.159752 -0.086414 -0.165266 -0.065104 0.195467 0.024865 0.066793 0.026687 0.026578 0.030717 0.183891 -0.223610 -0.009034 -0.077454 0.064583 -0.040275 -0.101075 -0.068713 -0.006464 0.004730 0.194372 -0.000106 0.101398 0.295053 -0.094098 0.133772 -0.142560 0.088226 0.010746 0.287835 0.091073 0.016246 0.385881 -0.021551 -0.045752 0.202384 0.028812 0.070007 0.024766 0.047427 -0.054609 0.145890 0.042196 0.157834 0.279628 0.036744 -0.031307 0.108336 0.002008 0.034140 0.163258 -0.010680 -0.046131 0.129266 -0.004836 -0.017899 0.131830 0.065954 -0.066617 0.118773 0.019129 -0.037787 0.525794 0.074474 -0.071623 0.096070 -0.134296 0.074370 0.397134 0.025888 -0.065011 0.585739 -0.012438 0.020772 0.053942 0.005091 0.046535 0.172078 -0.041659 0.033071 -0.303631 0.010522 -0.137478 -0.096405 -0.101444 -0.027321 -0.208568 -0.034643 -0.034902 -0.139601 -0.038797 0.043018 -0.073042 0.113416 -0.005392 0.140254 -0.097705 -0.106122 -0.100116 0.043236 0.044427 -0.257449 -0.079740 -0.003579 0.102996 -0.020377 -0.043072 0.083442 0.118355 -0.021236 0.003700 0.071932 -0.115250 0.053060 0.025292 0.061535 0.045449 -0.045749 0.095497 0.007108 -0.105145 0.003676 -0.008308 -0.129653 0.105853 0.005085 0.003516 0.059899 0.103241 0.004125 -0.074135 -0.085459 0.065722 0.059453 0.005945 0.094015 -0.062157 -0.064756 0.019059 0.039379 -0.154415 0.034254 0.000111 -0.000062 0.051305 0.062223 -0.141993 -0.005093 0.028358 0.182499 -0.092922 -0.008856 -0.221433 0.008456 0.058712 0.021342 -0.089448 -0.010027 0.084744 -0.079453 -0.065378 -0.506241 -0.060447 -0.043920 -0.074163 0.031541 -0.089007 0.001315 0.046118 -0.030392 -0.240585 -0.067843 0.001903 0.000470 -0.050063 0.021790 0.099963 0.010913 -0.048404 -0.050289 0.087160 0.006230 -0.204406 -0.004755 0.001459 0.014008 0.089483 0.033411 0.016616 -0.047853 -0.195391 -0.472465 0.040753 0.069521 -0.064227 -0.037595 0.063551 0.093656 -0.044509 -0.026415 -0.181421 0.104316 -0.008748 -0.098696 -0.025945 -0.009761 -0.127189 -0.000598 -0.015340 0.166332 0.119978 0.035073 -0.432913 0.012078 -0.070027 0.020199 0.003887 -0.003695 0.000265 0.007231 -0.007651 -0.661863 -0.080097 0.115390 -0.081232 0.011710 0.116758 -0.006523 0.039517 0.010712 -0.116397 -0.071592 -0.009617 0.087630 0.036135 -0.024501 0.085314 0.015624 -0.074413 -0.059935 -0.159554 -0.088965 -0.157973 -0.017526 0.002345 0.071517 -0.012237 -0.021175 -0.026631 0.032269 0.184586 -0.236779 0.092790 -0.054431 0.013430 -0.044818 -0.055000 -0.009881 -0.002508 0.019936 0.007538 0.000138 0.099426 0.284749 0.026568 -0.003126 0.004677 0.087818 0.012425 0.287467 0.089149 0.014516 0.386280 -0.038937 -0.004339 0.066883 0.001877 0.018879 0.047550 -0.010497 -0.007030 0.041626 0.044389 0.157558 0.282712 0.043106 -0.002385 0.106579 -0.008909 0.010938 0.056709 -0.001449 -0.002070 0.102402 -0.008690 0.009112 0.043865 0.001463 -0.015951 0.030592 0.018954 -0.036215 0.529874 -0.007474 0.035563 0.067985 -0.131509 0.076111 0.403629 0.028169 -0.067126 0.588965 0.016605 0.013972 0.043269 0.019898 0.012229 0.048663 -0.060038 0.022351 -0.298443 0.012802 -0.138999 -0.076618 -0.108828 -0.022924 -0.191751 -0.012875 0.006513 -0.059355 -0.038634 0.029723 -0.070029 0.047695 0.007287 0.068862 -0.091684 -0.089364 -0.074971 0.062869 0.048356 -0.243194 -0.021876 -0.001840 0.056958 -0.016105 -0.033705 0.072555 0.022954 0.030773 0.032851 0.002618 -0.016257 0.035096 0.006573 0.033947 0.084934 -0.016867 0.001391 0.021439 -0.010436 -0.040215 0.022007 -0.017349 0.008099 0.032547 0.029456 -0.036646 0.077631 0.004663 -0.071510 -0.082210 0.059450 0.066916 0.011752 0.100909 -0.069509 -0.031852 0.013557 0.028905 -0.151121 -0.002113 -0.001394 0.049130 0.054802 0.059740 -0.144591 -0.000829 0.003334 0.131998 -0.095971 -0.010685 -0.218550 -0.019207 0.080479 -0.004849 -0.042847 -0.004171 0.057286 -0.077356 -0.065983 -0.509358 -0.020355 -0.042713 -0.044944 0.027251 -0.034351 0.098817 0.048749 -0.030927 -0.183054 -0.009961 -0.000619 0.028099 -0.054009 0.018472 0.086169 -0.005972 -0.002467 -0.061178 0.089663 0.007255 -0.201765 0.020896 0.056244 0.012434 0.052341 0.021462 0.031742 -0.049566 -0.198130 -0.468316 0.015856 0.041241 -0.030855 -0.027423 0.047592 0.118097 -0.054102 -0.021004 -0.171245 0.045958 -0.013041 0.031209 -0.021518 -0.004905 -0.111292 -0.006510 0.019190 0.117117 0.119093 0.037321 -0.433943 0.033641 -0.073730 0.010678 0.052312 -0.006371 0.033106 0.005381 -0.007763 -0.658161 -0.037127 0.040380 -0.032509 0.008089 0.046589 0.054909 0.048746 0.007889 -0.089105 -0.065310 -0.013968 0.063409 0.030247 -0.019739 0.082184 -0.001712 -0.031267 0.026205 -0.158947 -0.091441 -0.163979 -0.017377 -0.055562 0.072290 -0.055104 -0.027947 0.020785 0.032879 0.187709 -0.246469 0.029845 0.005018 -0.024463 -0.029453 -0.027451 0.003860 -0.004547 0.024198 -0.136104 -0.000156 0.097915 0.276536 0.121066 -0.110954 0.118177 0.087732 0.013597 0.286681 0.087135 0.013106 0.386013 -0.052516 0.027717 -0.036640 -0.020240 -0.025415 0.064974 -0.053570 0.027317 -0.023992 0.046217 0.156582 0.284667 0.048233 0.018309 0.111039 -0.017709 -0.009894 -0.024160 0.003154 0.033557 0.080805 -0.014739 0.033476 -0.020249 -0.050443 0.024672 -0.035985 0.019177 -0.035324 0.532576 -0.075035 0.121962 0.048576 -0.130680 0.077238 0.408321 0.028901 -0.068245 0.590674 0.043097 0.007963 0.033800 0.031535 -0.016874 -0.039637 -0.074371 0.016279 -0.292116 0.014582 -0.139776 -0.060040 -0.114335 -0.022168 -0.176916 0.000554 0.038219 0.006780 -0.038949 0.018993 -0.068309 -0.006417 0.016443 0.013119 -0.088671 -0.076172 -0.053422 0.077865 0.051464 -0.232447 0.022664 -0.001338 0.024546 -0.011613 -0.027044 0.068302 -0.053978 0.071218 0.052629 -0.048419 0.060883 0.020750 -0.007381 0.014618 0.112609 0.002673 -0.078666 0.030931 0.064364 -0.080304 0.043163 0.069988 -0.067590 0.053633 0.050565 -0.107992 0.053851 0.004603 -0.070288 -0.079989 0.056546 0.072615 0.016865 0.105578 -0.075755 -0.006215 0.011104 0.019786 -0.147069 -0.030075 -0.003376 0.082841 0.057418 0.057229 -0.145884 0.000585 -0.016004 0.092821 -0.098141 -0.012118 -0.216304 -0.041855 0.098594 -0.025403 0.002235 0.002200 0.042698 -0.075559 -0.065887 -0.512105 0.011924 -0.036800 -0.025402 0.023688 0.009335 0.173903 0.047201 -0.030881 -0.148969 0.037962 -0.000202 0.047500 -0.056892 0.011279 0.068494 -0.018970 0.041305 -0.065616 0.090809 0.007873 -0.200253 0.039941 0.092553 0.015085 0.016992 0.016955 0.046336 -0.051195 -0.199697 -0.468661 0.000853 0.020313 -0.004768 -0.018052 0.034088 0.136152 -0.065135 -0.016589 -0.162689 0.007444 -0.018367 0.127279 -0.015240 -0.000474 -0.099845 -0.010507 0.040566 0.080001 0.119218 0.039027 -0.434155 0.050655 -0.080791 0.000282 0.087661 -0.004462 0.057153 0.004034 -0.008297 -0.657011 -0.004399 -0.020847 0.005898 0.007470 -0.004515 0.106987 0.059051 0.004482 -0.070758 -0.061622 -0.018007 0.045437 0.022447 -0.011431 0.079592 -0.014237 0.000673 0.086842 -0.159576 -0.094056 -0.167596 -0.012413 -0.085207 0.068505 -0.087198 -0.036949 0.058504 0.033235 0.189849 -0.252304 -0.019633 0.056586 -0.060968 -0.013689 -0.002280 0.009652 -0.003819 -0.025007 -0.079287 -0.000757 0.099161 0.266997 0.025841 -0.044979 0.070883 0.087451 0.014871 0.290614 0.089162 0.011004 0.384458 0.008569 0.034809 0.002548 -0.030503 -0.035222 0.066187 -0.014264 0.007666 -0.008026 0.047459 0.155633 0.285584 -0.007921 0.017808 0.041981 -0.009718 -0.016512 0.026916 0.017157 0.044062 0.035599 0.003455 0.018688 -0.021262 -0.017356 0.001811 -0.021755 0.020084 -0.035039 0.537312 -0.022678 0.024037 0.049992 -0.129843 0.078953 0.410848 0.027243 -0.069135 0.590643 0.005755 0.010823 -0.019042 0.008160 -0.022233 -0.016707 -0.098665 0.021155 -0.285787 0.013073 -0.128972 -0.053890 -0.116280 -0.030163 -0.144969 0.008315 0.029905 0.074144 -0.036614 0.004609 -0.059945 -0.039073 0.014839 -0.023593 -0.089042 -0.061615 -0.044269 0.102569 0.055261 -0.234261 0.034638 0.010258 -0.041694 -0.002710 0.008166 0.046896 -0.014127 -0.010615 0.064093 0.016114 0.029026 0.034982 -0.008548 0.006326 0.036484 0.004115 -0.018525 -0.008355 -0.007187 0.005791 0.063677 0.016699 -0.040523 0.057168 0.003004 -0.011667 0.039922 0.004687 -0.071766 -0.076819 0.058570 0.066099 0.024165 0.100804 -0.079333 0.001571 0.003529 0.017026 -0.146354 -0.029467 -0.013525 0.105980 0.059173 0.046349 -0.118167 -0.008697 -0.014577 0.019911 -0.101505 -0.014433 -0.210896 -0.014897 0.053086 0.003434 0.024962 -0.005036 0.014367 -0.072249 -0.064370 -0.514227 0.042974 -0.033886 0.052281 0.002640 0.004460 0.149336 0.051429 -0.025060 -0.145137 0.047926 -0.014392 0.072832 -0.059325 0.014282 0.052682 0.006492 0.026577 -0.018970 0.092874 0.007969 -0.200577 0.002217 0.081634 0.022127 -0.017351 -0.005994 0.042323 -0.054228 -0.202240 -0.469560 -0.011339 -0.013222 0.034517 0.011141 0.013007 0.055687 -0.066058 -0.016341 -0.135152 -0.022062 0.007707 0.082911 -0.008692 0.007206 -0.089969 -0.024365 0.009566 -0.012634 0.119347 0.041304 -0.434951 0.003679 -0.024020 0.018331 0.045946 0.008996 0.045526 0.003425 -0.009579 -0.658971 0.006425 -0.002550 0.071107 -0.008712 0.000612 0.116910 0.058674 -0.003109 -0.046559 0.006074 0.011725 0.038812 0.018135 -0.007942 0.086671 0.012000 0.005838 0.072824 -0.160370 -0.095565 -0.174537 0.000638 -0.066434 0.031953 -0.044725 -0.001255 0.062038 0.032436 0.191635 -0.246170 -0.012584 -0.001616 -0.027477 0.010670 0.016710 0.033746 -0.003024 -0.055169 -0.047896 -0.000749 0.099804 0.261713 -0.030693 -0.005598 0.050368 0.087400 0.015676 0.293270 0.090522 0.009989 0.383929 0.037345 0.037063 0.026777 -0.037739 -0.044161 0.061653 0.006949 0.000968 -0.003584 0.048347 0.155432 0.286134 -0.033608 0.019538 0.010369 -0.006404 -0.019487 0.056749 0.023770 0.049876 0.007629 0.015848 0.009748 -0.023365 0.004690 -0.011111 -0.016373 0.020338 -0.034712 0.540323 0.006598 -0.029848 0.056796 -0.129103 0.079840 0.413402 0.026691 -0.069872 0.590826 -0.013041 0.010473 -0.046507 -0.006167 -0.024230 -0.004687 -0.112178 0.022844 -0.282725 0.012264 -0.123036 -0.050302 -0.117455 -0.033520 -0.128303 0.014635 0.025130 0.114418 -0.034967 -0.003464 -0.055020 -0.058670 0.013346 -0.043116 -0.087910 -0.053406 -0.039054 0.116583 0.057830 -0.234160 0.040876 0.016239 -0.078757 0.002230 0.028872 0.034536 0.008202 -0.056762 0.069371 0.052084 0.011470 0.043990 -0.010732 -0.002524 -0.007925 0.004285 0.016126 -0.027730 -0.046363 0.051934 0.077904 -0.011221 -0.023327 0.057520 -0.025274 0.040204 0.034358 0.004949 -0.072388 -0.074722 0.058520 0.062547 0.028733 0.098600 -0.081726 0.006820 -0.000450 0.016113 -0.148949 -0.030195 -0.015854 0.123092 0.061096 0.039716 -0.103954 -0.014955 -0.008112 -0.028393 -0.103358 -0.015953 -0.207945 0.001209 0.020727 0.020033 0.034695 -0.007863 -0.006607 -0.070507 -0.063585 -0.515136 0.061642 -0.029528 0.096148 -0.004983 0.001201 0.135107 0.054501 -0.022380 -0.137398 0.052313 -0.025623 0.080844 -0.061463 0.015902 0.043839 0.019671 0.018133 0.010070 0.094560 0.007854 -0.199963 -0.018451 0.082182 0.027125 -0.039342 -0.019169 0.035307 -0.055445 -0.203937 -0.469379 -0.020854 -0.034614 0.054864 0.031817 0.002128 0.010026 -0.066327 -0.016634 -0.119481 -0.042608 0.021959 0.055900 -0.005298 0.012188 -0.083534 -0.031989 -0.008813 -0.067576 0.119306 0.042755 -0.435480 -0.024069 0.015092 0.027476 0.028179 0.018072 0.043079 0.002821 -0.010448 -0.659185 0.012995 0.004488 0.106647 -0.020018 0.000341 0.124547 0.058614 -0.006659 -0.031984 0.047075 0.030804 0.030824 0.016512 -0.005635 0.090692 0.027042 0.008347 0.064636 -0.160490 -0.096091 -0.178805 0.005892 -0.058996 0.012456 -0.019219 0.016002 0.062986 0.032385 0.192940 -0.242532 -0.010692 -0.033989 -0.010110 0.021960 0.026335 0.047350 0.023915 0.005028 0.047211 -0.000275 0.101191 0.261039 -0.012696 0.015540 0.023126 0.088393 0.016498 0.296589 0.094666 0.010320 0.381435 0.009179 -0.005721 0.061177 0.001075 -0.006785 0.060033 0.010752 -0.020837 -0.003009 0.048047 0.157700 0.285466 -0.018001 0.009491 0.026091 0.000159 0.021833 0.047378 0.006925 -0.009981 0.033151 0.005322 0.009862 -0.003420 0.015805 0.005323 0.024865 0.019335 -0.036083 0.539091 0.001274 -0.008992 0.034404 -0.130903 0.079960 0.413964 0.024527 -0.069638 0.586754 -0.012824 0.014206 -0.008055 -0.027650 -0.013365 0.032885 -0.112366 0.024380 -0.273004 0.012579 -0.121346 -0.039134 -0.119427 -0.032715 -0.123502 0.009658 -0.002556 0.030715 -0.035723 0.001784 -0.054451 -0.005796 0.005375 0.007304 -0.083807 -0.059054 -0.036916 0.116510 0.064808 -0.226185 0.015931 0.009988 -0.013390 0.004776 0.019848 0.022251 -0.003685 -0.013471 0.041538 0.011234 -0.014885 0.036989 -0.011275 -0.000952 -0.003188 0.007760 -0.000761 0.003566 -0.009848 0.010287 0.046515 0.002678 0.008861 0.027486 -0.024748 0.011608 0.038469 0.005018 -0.074021 -0.076802 0.052578 0.059523 0.054222 0.100504 -0.083827 0.009992 0.007354 0.026785 -0.162695 -0.001445 -0.001423 0.084029 0.060749 0.032995 -0.091604 -0.006271 -0.006894 0.021223 -0.103567 -0.016038 -0.207971 -0.001574 -0.009458 0.020836 0.020700 -0.001670 0.016930 -0.070413 -0.063283 -0.515084 0.027517 -0.001293 0.055312 -0.016091 0.004779 0.060780 0.052557 -0.016966 -0.155304 0.001505 0.001379 0.040869 -0.063869 0.020759 0.075994 0.006859 -0.014968 0.068608 0.095079 0.008175 -0.200507 0.001277 0.037083 0.021518 -0.024135 -0.028085 0.036803 -0.055704 -0.201757 -0.476712 -0.022345 -0.000625 0.022170 0.013768 -0.035515 -0.007878 -0.053437 -0.022284 -0.108624 -0.028785 0.007005 0.006939 -0.010226 0.017585 -0.068865 0.006955 0.003914 -0.013316 0.118705 0.043620 -0.435244 -0.029242 0.025176 0.023933 0.009315 0.021229 0.021965 0.002312 -0.010669 -0.668695 0.018305 -0.000078 0.065224 -0.002269 -0.003092 0.068386 0.046005 -0.007065 -0.012380 0.026477 0.000624 0.013876 0.021365 -0.012704 0.088822 -0.002377 0.010688 0.013509 -0.160276 -0.095192 -0.183096 0.015245 -0.025881 0.017624 -0.006232 0.023767 0.025236 0.031650 0.192638 -0.237817 -0.013559 -0.009797 0.019057 0.008540 0.018112 0.043499 0.068315 0.118166 0.231378 -0.000434 0.103927 0.261432 0.020374 0.060082 -0.043853 0.089695 0.017194 0.300148 0.101791 0.009988 0.376476 -0.040669 -0.078657 0.140091 0.080845 0.060713 0.074897 0.019707 -0.054462 0.001139 0.048627 0.159952 0.285689 0.015159 -0.007560 0.060175 0.018036 0.100138 0.036749 -0.026512 -0.124479 0.086171 -0.012528 0.010219 0.032897 0.021305 0.034501 0.098106 0.019367 -0.040480 0.538978 -0.008859 0.033974 -0.014470 -0.133344 0.079975 0.408636 0.018743 -0.069643 0.581910 -0.013885 0.018768 0.063188 -0.064784 0.006566 0.104703 -0.112791 0.030590 -0.250309 0.013784 -0.118283 -0.017322 -0.123651 -0.036147 -0.110772 -0.005707 -0.055687 -0.135935 -0.037984 0.010657 -0.053650 0.087893 -0.010607 0.092973 -0.083622 -0.070248 -0.033334 0.116962 0.072958 -0.215725 -0.032268 -0.001218 0.105246 0.007348 0.005401 0.007461 -0.020835 0.069198 -0.011490 -0.064642 -0.058706 0.033063 -0.005482 -0.001605 0.001006 0.006571 -0.037192 0.059685 0.053685 -0.062217 -0.007498 0.023796 0.069701 -0.025982 -0.017825 -0.044525 0.047080 0.003893 -0.078196 -0.080634 0.050108 0.052657 0.099202 0.104144 -0.084421 0.012694 0.014148 0.037221 -0.169882 0.061622 0.019720 -0.002520 0.059173 0.026704 -0.071509 0.011644 -0.007911 0.095041 -0.105753 -0.017582 -0.204159 -0.001927 -0.051170 0.018064 -0.001978 0.005237 0.057045 -0.069905 -0.062817 -0.515140 -0.028871 0.052807 -0.014981 -0.024462 0.012979 -0.084036 0.052594 -0.008661 -0.206786 -0.095916 0.047507 -0.008359 -0.067084 0.032921 0.126902 -0.022645 -0.077774 0.214753 0.096539 0.008561 -0.201677 0.031075 -0.052872 0.005472 0.002198 -0.045125 0.043069 -0.057133 -0.200042 -0.487228 -0.031507 0.074869 -0.039592 -0.026234 -0.098446 -0.033080 -0.037999 -0.026525 -0.089444 -0.007820 -0.018619 -0.087790 -0.015120 0.020121 -0.048062 0.079221 0.031219 0.084832 0.118415 0.044954 -0.434675 -0.048039 0.031942 0.020416 -0.028297 0.021320 -0.027947 0.002467 -0.011606 -0.690711 0.027803 -0.012373 -0.018168 0.028353 -0.013836 -0.038221 0.030785 -0.009215 0.018634 -0.005478 -0.053594 -0.020412 0.025603 -0.028689 0.083172 -0.046691 0.007323 -0.086208 -0.160606 -0.095378 -0.189938 0.042248 0.058764 0.022048 0.018135 0.045562 -0.051050 0.029706 0.191949 -0.228768 -0.018513 0.035065 0.071125 -0.014078 -0.005501 0.049575 0.043386 0.056513 0.131556 -0.000490 0.102589 0.261561 0.004617 0.036644 -0.009477 0.088933 0.016724 0.297997 0.098000 0.010010 0.379183 -0.012777 -0.035777 0.098858 0.035703 0.024955 0.065689 0.016271 -0.037414 -0.000826 0.048487 0.158499 0.285837 -0.002807 0.000447 0.038469 0.009310 0.057421 0.042827 -0.007733 -0.062419 0.057831 -0.002422 0.011239 0.013494 0.015795 0.018305 0.057641 0.019743 -0.038487 0.539451 -0.000794 0.014585 0.012361 -0.131804 0.080029 0.410204 0.021492 -0.069681 0.585016 -0.014163 0.017084 0.026102 -0.044558 -0.004753 0.065046 -0.112599 0.027756 -0.262038 0.013261 -0.119942 -0.028154 -0.121281 -0.035026 -0.117031 0.001472 -0.028102 -0.045376 -0.036849 0.005758 -0.054113 0.036547 -0.002056 0.048389 -0.085020 -0.064151 -0.035076 0.116960 0.067616 -0.222415 -0.005061 0.004825 0.042579 0.006168 0.012864 0.014950 -0.010621 0.022367 0.015321 -0.023388 -0.034331 0.036766 -0.007245 -0.000693 -0.000651 0.006145 -0.017785 0.029720 0.021129 -0.021424 0.021009 0.011340 0.034465 0.002266 -0.018925 -0.015407 0.045029 0.004332 -0.076081 -0.078571 0.052991 0.056188 0.075307 0.102127 -0.083263 0.010389 0.009393 0.030072 -0.161983 0.027829 0.005545 0.044090 0.059849 0.031568 -0.082322 0.004674 -0.007428 0.055901 -0.104812 -0.016899 -0.205413 -0.001924 -0.023380 0.018536 0.011239 -0.000163 0.038641 -0.069885 -0.063064 -0.515124 0.002083 0.021236 0.022166 -0.020906 0.008649 -0.009193 0.053133 -0.013418 -0.182036 -0.045777 0.023767 0.017806 -0.065068 0.026857 0.098869 -0.008072 -0.043037 0.139021 0.095874 0.008482 -0.201003 0.011960 -0.006391 0.014628 -0.012711 -0.035774 0.037648 -0.056694 -0.201266 -0.481030 -0.026293 0.034065 -0.004606 -0.005285 -0.061193 -0.019593 -0.047594 -0.023132 -0.099530 -0.016386 -0.008063 -0.043534 -0.012012 0.017181 -0.060608 0.039665 0.017467 0.031786 0.118739 0.044206 -0.434850 -0.040295 0.023488 0.021655 -0.008269 0.022404 -0.001499 0.002660 -0.011031 -0.679881 0.021818 -0.002510 0.026563 0.012089 -0.009655 0.017511 0.040306 -0.008192 0.000803 0.009842 -0.023298 -0.002636 0.022789 -0.020494 0.085967 -0.023391 0.010295 -0.030101 -0.160439 -0.095658 -0.185960 0.028692 0.014736 0.019456 0.003810 0.034679 -0.005781 0.030667 0.192267 -0.233670 -0.015012 0.009959 0.042198 -0.001953 0.007031 0.049988 -0.007230 0.023515 0.060797 -0.000126 0.103305 0.262385 0.007170 -0.000847 0.020278 0.089689 0.017355 0.301083 0.099455 0.010207 0.377454 -0.004404 -0.015229 0.022476 0.012077 0.016331 0.051524 -0.004648 0.004211 0.034389 0.048544 0.159924 0.284088 -0.006459 -0.011469 0.020300 -0.002026 -0.002698 0.023502 -0.003438 -0.018494 0.020314 -0.010871 -0.010624 0.037883 -0.012736 0.012574 0.054102 0.019100 -0.039987 0.538410 -0.011993 -0.001906 0.019172 -0.132678 0.080752 0.411767 0.020474 -0.069940 0.583063 0.000509 -0.018799 0.051958 0.007923 0.018081 0.043455 -0.114651 0.032653 -0.247983 0.011894 -0.120153 -0.007627 -0.116043 -0.036202 -0.096944 -0.006501 -0.019991 0.028665 -0.038727 0.000105 -0.041813 0.031032 0.006519 0.050453 -0.080388 -0.062948 -0.023451 0.117833 0.075279 -0.214736 -0.019710 0.003892 0.073771 0.009956 0.008419 -0.000073 -0.012918 0.030931 -0.004941 -0.026867 0.008461 0.005497 0.006868 -0.010455 0.005730 0.007249 0.016393 0.039751 0.032481 -0.018481 0.005458 0.013976 0.004738 0.006956 -0.001122 -0.007664 0.009137 0.004629 -0.076136 -0.076648 0.049637 0.052719 0.093803 0.099031 -0.085479 0.031696 0.014586 0.030758 -0.160497 0.035876 0.014982 0.004856 0.059309 0.028640 -0.065699 0.007090 0.016539 0.052485 -0.105872 -0.018051 -0.206436 -0.007882 -0.010342 0.012212 0.010748 0.004753 0.050229 -0.069047 -0.063526 -0.516413 -0.016948 0.016297 -0.012947 0.003156 0.014836 -0.007360 0.049801 -0.011573 -0.193763 -0.050402 -0.000240 0.024009 -0.065473 0.026638 0.093001 -0.008638 -0.005699 0.068266 0.096296 0.008813 -0.202147 0.025038 -0.024512 0.000959 -0.010029 0.005991 0.046580 -0.057804 -0.201917 -0.486641 -0.002846 -0.013859 0.011853 -0.016600 -0.033886 0.023131 -0.043650 -0.021854 -0.083027 0.001844 -0.002672 0.035246 -0.012390 0.019974 -0.043583 0.016657 -0.006646 0.065117 0.119814 0.045414 -0.435220 -0.000723 0.000351 0.007693 -0.011059 -0.002663 0.022632 0.002665 -0.011736 -0.689937 0.008002 -0.011874 -0.041903 -0.000738 -0.007752 -0.009364 0.036556 -0.006622 0.018950 0.001670 -0.004668 0.016023 0.020227 -0.018306 0.085480 -0.012935 0.006053 0.023227 -0.162499 -0.096020 -0.188566 0.009328 0.030103 -0.014404 0.030411 -0.001520 0.012938 0.029972 0.193150 -0.237032 -0.008377 0.032953 0.028063 0.008874 0.020832 0.036888 -0.043943 -0.000842 0.013613 0.000275 0.103784 0.263131 0.011717 -0.029063 0.042617 0.090355 0.017722 0.303307 0.100627 0.010314 0.376409 0.006912 0.002225 -0.033123 -0.007992 0.010770 0.037384 -0.024553 0.032221 0.064571 0.048805 0.160739 0.283017 -0.009386 -0.022458 0.006718 -0.009364 -0.043206 0.009093 -0.001366 0.012746 -0.005683 -0.016750 -0.023147 0.054950 -0.032792 0.008789 0.051268 0.018845 -0.041053 0.537813 -0.017095 -0.013830 0.021948 -0.133076 0.081149 0.413052 0.019950 -0.070160 0.581852 0.013291 -0.042583 0.071286 0.041531 0.033284 0.029510 -0.115842 0.036279 -0.237958 0.011117 -0.120294 0.006317 -0.112182 -0.037354 -0.082948 -0.011938 -0.013788 0.078800 -0.039899 -0.003860 -0.033135 0.027200 0.012265 0.051763 -0.077095 -0.062238 -0.015173 0.118580 0.080671 -0.209291 -0.030244 0.002372 0.095543 0.012090 0.005750 -0.011485 -0.014288 0.036885 -0.021425 -0.029240 0.034136 -0.017646 0.016778 -0.016833 0.012080 0.008659 0.040623 0.046712 0.040972 -0.012563 -0.006616 0.015980 -0.014535 0.009638 0.012396 -0.003438 -0.014130 0.005006 -0.076283 -0.075177 0.047621 0.050179 0.106134 0.097021 -0.087244 0.046542 0.018542 0.031154 -0.159898 0.040872 0.020171 -0.023045 0.059418 0.026461 -0.053638 0.012775 0.031236 0.058446 -0.106361 -0.018977 -0.207080 -0.015392 -0.001976 0.008181 0.010953 0.007100 0.059306 -0.068196 -0.063966 -0.517123 -0.031880 0.012743 -0.036562 0.015294 0.021915 -0.006539 0.047365 -0.010546 -0.202838 -0.051070 -0.014758 0.027957 -0.065850 0.026282 0.088656 -0.014154 0.021041 0.021966 0.096712 0.009035 -0.202649 0.032161 -0.040547 -0.006224 -0.015324 0.034748 0.051395 -0.058475 -0.202372 -0.490374 0.018433 -0.053771 0.020254 -0.026793 -0.013319 0.052029 -0.040528 -0.021052 -0.071424 0.017120 -0.002112 0.086208 -0.012268 0.021846 -0.031228 0.000060 -0.022144 0.084559 0.120773 0.046234 -0.435234 0.035175 -0.015197 -0.004590 -0.012035 -0.016400 0.035642 0.002910 -0.012273 -0.696684 -0.001133 -0.015678 -0.078500 -0.008405 -0.005989 -0.031957 0.033940 -0.005439 0.031177 -0.007188 0.009537 0.030577 0.018376 -0.016720 0.085172 -0.003241 0.001850 0.055539 -0.163784 -0.096463 -0.190125 -0.007152 0.041120 -0.038090 0.045081 -0.026529 0.025357 0.029623 0.193605 -0.239155 -0.004159 0.051800 0.017659 0.019118 0.030219 0.031603 -0.022663 -0.014947 0.009654 0.000231 0.105416 0.267770 -0.018330 0.005990 0.050817 0.090193 0.017711 0.306927 0.101027 0.010199 0.375692 0.006175 0.012039 -0.015308 0.003822 0.005573 -0.009488 0.015297 0.022844 0.035017 0.046552 0.159950 0.284813 0.007296 -0.000663 -0.005132 0.003766 -0.027475 0.018610 -0.005920 0.012882 -0.012299 -0.003129 -0.014768 0.027448 -0.000260 -0.009825 0.024530 0.018502 -0.040563 0.536597 0.014636 -0.014942 0.009429 -0.132899 0.081937 0.415820 0.019041 -0.069784 0.582038 0.009018 -0.013102 0.026247 0.015808 0.007939 0.034890 -0.110848 0.041275 -0.222440 0.010501 -0.121999 0.010368 -0.111984 -0.040549 -0.067113 -0.003166 0.004117 0.060221 -0.042025 0.000514 -0.020181 -0.007208 -0.005587 0.020744 -0.077984 -0.062332 0.011301 0.113126 0.082942 -0.190837 -0.019406 0.001622 0.042082 -0.009777 -0.004025 -0.007070 -0.012315 0.003346 0.007762 0.000274 0.012134 0.004437 0.012912 -0.005099 -0.000322 -0.004749 -0.002617 0.012464 -0.001906 0.006127 -0.016874 0.000757 0.012527 0.019876 0.004812 0.012656 0.000417 0.005781 -0.077068 -0.074920 0.049304 0.052998 0.120371 0.097096 -0.091550 0.052990 0.014284 0.032117 -0.148662 -0.010042 0.013283 -0.011661 0.059020 0.026015 -0.031738 0.004029 -0.009540 -0.006088 -0.107205 -0.020858 -0.209371 0.004920 -0.019215 0.023022 0.007747 0.013620 0.037798 -0.067582 -0.063746 -0.520161 -0.024168 0.001959 -0.029791 0.009641 0.012423 0.012624 0.050497 -0.012091 -0.194376 -0.002929 0.004453 0.024247 -0.064594 0.026189 0.098751 0.003526 0.026039 0.013891 0.096958 0.009109 -0.204514 -0.003241 -0.043694 -0.000231 0.001636 0.028969 0.023647 -0.059570 -0.203021 -0.494762 0.022016 -0.014593 0.049534 -0.015484 0.006650 0.057646 -0.040694 -0.022412 -0.044410 0.035132 0.001494 0.051069 -0.014040 0.021776 -0.018503 -0.007478 -0.004812 0.044829 0.120947 0.048342 -0.438058 0.016074 -0.000926 0.014407 -0.029974 -0.025706 0.033960 0.002412 -0.012133 -0.699097 -0.027562 0.005291 -0.014094 -0.007723 -0.012601 -0.033569 0.032762 -0.002196 0.050521 -0.014003 0.015726 0.036868 0.020925 -0.016299 0.114143 0.006685 -0.025419 0.048014 -0.164193 -0.096553 -0.189580 -0.011652 0.028149 -0.012645 0.046176 -0.018157 0.038026 0.029884 0.193643 -0.239706 0.020628 0.020998 0.017361 0.004875 0.031879 0.023307 -0.000862 -0.029200 -0.001600 0.000831 0.106801 0.272598 -0.047439 0.035332 0.071516 0.090592 0.017609 0.310665 0.102031 0.009947 0.375518 0.005420 0.018958 0.005959 0.010964 0.003041 -0.055333 0.043914 0.008095 0.009603 0.045053 0.159053 0.287122 0.015391 0.023367 -0.013775 0.015476 -0.011370 0.029769 -0.009879 0.013508 -0.015807 0.010956 -0.007481 0.000714 0.030144 -0.028627 -0.000411 0.018806 -0.040187 0.535916 0.044937 -0.014855 -0.011001 -0.132021 0.082609 0.419027 0.018739 -0.069600 0.582726 0.003432 0.016754 -0.018473 -0.006623 -0.015389 0.039013 -0.105342 0.045918 -0.207187 0.010608 -0.123916 0.014926 -0.111330 -0.043724 -0.051410 0.005968 0.021415 0.042956 -0.043454 0.004673 -0.007554 -0.040268 -0.023395 -0.007613 -0.078166 -0.062690 0.036657 0.108482 0.085075 -0.172922 -0.008101 0.001031 -0.006385 -0.030143 -0.013779 -0.002347 -0.012453 -0.028659 0.034924 0.029721 -0.012092 0.027198 0.010850 0.006343 -0.011810 -0.017584 -0.044540 -0.019469 -0.042981 0.030468 -0.027606 -0.011494 0.037824 0.033531 -0.003089 0.028119 0.011090 0.007141 -0.077962 -0.074131 0.051480 0.055704 0.134291 0.097935 -0.095880 0.059529 0.011034 0.032963 -0.138355 -0.052961 0.011369 -0.004711 0.059196 0.025362 -0.010101 -0.007455 -0.049078 -0.063177 -0.107314 -0.022853 -0.210992 0.019590 -0.031317 0.040246 0.005118 0.015484 0.018143 -0.066489 -0.063457 -0.522442 -0.016167 -0.009468 -0.027312 -0.005708 0.005816 0.025611 0.053922 -0.013526 -0.187561 0.046366 0.021454 0.022867 -0.062684 0.025872 0.107483 0.021555 0.036176 0.012197 0.097743 0.008931 -0.205671 -0.034176 -0.048292 0.006690 0.021160 0.020134 -0.004485 -0.059841 -0.203687 -0.498264 0.026207 0.022752 0.074921 -0.007439 0.023244 0.066314 -0.040116 -0.023823 -0.018462 0.052793 -0.002771 0.017550 -0.015058 0.021651 -0.005726 -0.014132 0.015899 -0.006769 0.121844 0.050297 -0.440089 0.002066 0.010666 0.031608 -0.046649 -0.033894 0.031489 0.002527 -0.012255 -0.700872 -0.053563 0.028449 0.043030 -0.001822 -0.017255 -0.031385 0.032191 0.000678 0.069287 -0.025772 0.014219 0.044895 0.023956 -0.015842 0.141404 0.017284 -0.045976 0.039990 -0.164071 -0.096673 -0.188475 -0.016661 0.015684 0.010602 0.036245 -0.012541 0.041237 0.030809 0.193502 -0.239514 0.046953 0.001275 0.019894 -0.008121 0.032535 0.008489 -0.001221 -0.012201 0.014955 0.001908 0.110881 0.278744 0.038782 -0.000407 0.002267 0.093008 0.018457 0.311127 0.103941 0.010614 0.375832 -0.004094 0.011302 0.004768 -0.005177 -0.002388 -0.025128 -0.029369 0.000401 -0.035294 0.045736 0.159695 0.289386 0.013796 -0.000761 0.033716 0.008330 0.001089 -0.019536 -0.002254 0.008354 0.012419 0.023625 0.017650 -0.034926 -0.009479 0.005470 0.034228 0.018378 -0.039933 0.534799 -0.007210 0.021111 -0.018095 -0.132900 0.083064 0.420378 0.016937 -0.069602 0.581978 -0.008115 0.010518 -0.005086 -0.005450 0.000692 0.010014 -0.096301 0.047134 -0.183096 0.009289 -0.127761 0.027913 -0.114016 -0.044882 -0.047142 0.006268 0.019612 -0.023737 -0.040114 0.013575 0.017380 -0.028847 -0.020966 -0.034853 -0.080916 -0.073606 0.060744 0.100584 0.086609 -0.139425 0.009907 -0.024761 -0.030224 0.003797 -0.001743 0.019775 -0.015221 0.012833 0.027784 -0.007694 0.023729 0.014533 -0.004679 0.008444 -0.001815 0.005986 0.011617 -0.007655 0.003895 -0.006626 0.013371 0.021496 -0.013768 0.028820 0.015489 -0.014457 0.002041 0.007911 -0.080933 -0.077090 0.049945 0.060358 0.146946 0.105935 -0.098252 0.087394 -0.003940 0.032517 -0.128767 -0.016156 -0.006760 -0.000705 0.056493 0.020218 -0.001307 0.000654 0.015886 -0.023142 -0.108176 -0.024910 -0.215832 0.016517 0.006578 0.013736 -0.003121 0.010047 -0.006279 -0.066789 -0.063145 -0.523263 -0.006501 0.003767 0.013554 -0.005619 -0.011233 -0.001092 0.068027 -0.013261 -0.170376 0.023527 0.011359 0.000435 -0.059045 0.030840 0.130415 -0.007020 0.006117 0.030042 0.098623 0.009657 -0.206003 -0.016947 -0.017128 0.017073 -0.012274 -0.001577 -0.011412 -0.060350 -0.202896 -0.512343 -0.001170 0.002624 0.032195 0.018282 0.013007 0.039891 -0.037472 -0.024381 -0.006913 -0.010356 0.009106 0.014930 -0.017941 0.028219 0.008078 0.008053 -0.004740 -0.031256 0.121611 0.052432 -0.441919 0.018442 -0.003408 0.014744 -0.020490 -0.019725 0.023595 0.002413 -0.012047 -0.706659 0.000583 -0.013565 0.045562 0.014481 -0.006264 0.001730 0.028592 -0.001631 0.089699 -0.008002 -0.005302 0.010508 0.026239 -0.018984 0.168777 -0.009825 0.012277 0.007472 -0.163957 -0.097121 -0.190300 0.007447 0.018972 0.035489 -0.007066 0.012753 0.014124 0.030582 0.192877 -0.238446 -0.001463 -0.044116 0.026341 -0.008774 -0.007217 0.009414 -0.001494 -0.009554 0.015829 0.001898 0.111706 0.278994 0.052545 -0.004802 -0.011774 0.093359 0.018596 0.309820 0.104108 0.010710 0.375111 -0.006446 0.008217 -0.001381 -0.007103 -0.001651 -0.024122 -0.038911 -0.000745 -0.041230 0.045744 0.159367 0.288576 0.013191 -0.005557 0.038552 0.007709 0.003798 -0.027142 -0.000931 0.007502 0.015349 0.025403 0.020733 -0.040936 -0.016754 0.009779 0.038441 0.018218 -0.040016 0.533856 -0.015135 0.026356 -0.021160 -0.132768 0.082713 0.419020 0.016584 -0.069112 0.581041 -0.009912 0.009765 -0.004434 -0.005029 0.002368 0.004573 -0.095122 0.048119 -0.180010 0.008896 -0.128084 0.028766 -0.114482 -0.046164 -0.047369 0.005363 0.019342 -0.033294 -0.039757 0.014903 0.019718 -0.027148 -0.020527 -0.039290 -0.082204 -0.075168 0.062383 0.099496 0.086303 -0.136440 0.012829 -0.027836 -0.033806 0.008551 0.000110 0.023376 -0.014939 0.019395 0.022946 -0.011977 0.029062 0.009229 -0.006302 0.008495 -0.002033 0.008259 0.018366 -0.007006 0.010346 -0.012651 0.018308 0.025949 -0.020959 0.026104 0.017657 -0.021117 0.000236 0.007984 -0.081469 -0.078614 0.050576 0.060834 0.147810 0.107159 -0.098365 0.089606 -0.007408 0.032794 -0.125335 -0.012535 -0.007854 0.000689 0.056989 0.020276 -0.000702 0.001959 0.022918 -0.016789 -0.108597 -0.025208 -0.217551 0.016583 0.011904 0.015182 -0.002742 0.008997 -0.003894 -0.067071 -0.062802 -0.523714 -0.007187 0.005484 0.018686 -0.004925 -0.012955 -0.002896 0.070745 -0.012629 -0.172995 0.019986 0.011464 0.004735 -0.059450 0.032782 0.133442 -0.012207 0.005135 0.037301 0.098848 0.009506 -0.206230 -0.016298 -0.018954 0.019328 -0.016219 -0.002137 -0.009440 -0.060570 -0.203070 -0.513537 -0.003374 0.001238 0.029045 0.021279 0.011099 0.036687 -0.037909 -0.025319 -0.006081 -0.013910 0.011133 0.017214 -0.015436 0.028047 0.009118 0.012636 -0.008005 -0.029052 0.121587 0.052665 -0.442084 0.020887 -0.008223 0.014330 -0.016876 -0.018412 0.024485 0.002385 -0.012455 -0.708071 0.003519 -0.014659 0.050776 0.016437 -0.005759 0.006091 0.028713 -0.002811 0.090901 -0.007025 -0.007513 0.007846 0.023160 -0.020935 0.171663 -0.012915 0.018723 0.006854 -0.164207 -0.097786 -0.188894 0.011126 0.024882 0.036405 -0.010617 0.014323 0.013590 0.030415 0.192471 -0.238938 -0.005834 -0.051270 0.033917 -0.009358 -0.009850 0.010315 -0.002314 0.019556 0.028171 0.002678 0.111140 0.279632 -0.020022 -0.003688 0.001898 0.094531 0.018405 0.309290 0.104955 0.010913 0.375281 -0.002276 -0.006973 0.026956 0.004719 0.001823 0.003898 0.011775 -0.001060 -0.002584 0.044635 0.162063 0.288238 0.004358 -0.010102 0.012709 0.006456 0.001254 -0.013996 0.001867 -0.002686 -0.005301 -0.001486 -0.001825 0.013915 0.002271 0.008830 0.023644 0.017516 -0.041963 0.532638 0.014522 -0.010956 0.005225 -0.134799 0.082522 0.417626 0.014836 -0.070109 0.578780 -0.000609 0.001803 -0.001197 -0.002282 0.009283 0.004195 -0.094814 0.047640 -0.170619 0.006658 -0.128990 0.040428 -0.114611 -0.045385 -0.029017 -0.001706 0.007953 0.018292 -0.035135 0.016317 0.028354 -0.006261 -0.005046 -0.001972 -0.083549 -0.077163 0.071609 0.098494 0.085213 -0.123662 0.010140 -0.003613 -0.018034 0.003363 0.001674 0.016665 0.020519 -0.009736 0.003966 0.001241 -0.007829 0.002687 -0.006720 -0.000466 -0.003963 -0.001481 -0.023336 0.005772 0.000536 0.015606 0.007746 -0.011580 0.010023 0.001505 -0.000995 0.014098 -0.011251 0.008108 -0.083061 -0.080604 0.049561 0.059799 0.155937 0.105899 -0.097377 0.095962 -0.012119 0.039138 -0.123444 0.011721 -0.002037 -0.008841 0.052556 0.015618 0.005454 -0.002233 0.032541 0.016791 -0.109334 -0.026014 -0.220475 -0.007080 0.007689 -0.004388 0.009180 -0.007379 -0.005284 -0.070424 -0.063850 -0.521494 0.004044 0.011356 0.008763 0.000117 -0.009697 -0.023371 0.076157 -0.011141 -0.148068 -0.006030 -0.006808 -0.013708 -0.054906 0.030759 0.137570 0.002228 -0.024596 -0.009227 0.099841 0.008884 -0.207420 0.009675 0.030757 0.002286 -0.017915 0.001458 -0.000557 -0.057816 -0.201184 -0.522944 -0.020785 0.007503 -0.012349 -0.001141 0.003408 0.014683 -0.037995 -0.030252 0.009998 -0.014525 0.004700 -0.006307 -0.022052 0.033162 0.015710 -0.017419 -0.018757 -0.006133 0.121062 0.052168 -0.442280 -0.005286 0.001299 -0.007256 0.013647 0.016131 0.005496 0.003008 -0.012093 -0.717269 0.005320 -0.015843 -0.012720 -0.012545 0.014946 0.003097 0.029651 -0.003992 0.093460 0.028191 0.009990 0.011226 0.034340 -0.022910 0.183664 0.011750 0.031814 0.007775 -0.164057 -0.096240 -0.191409 -0.011220 -0.026068 0.002511 -0.021237 0.003559 0.014061 0.030376 0.192315 -0.242267 0.010610 0.001424 0.022673 0.003651 -0.026310 0.003172</matrix>
               </module>
            </module>
            <module dictRef="cc:userDefinedModule" id="positions">
               <molecule id="calculation.position.2">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <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="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a49" order="S"/>
                     <bond atomRefs2="a8 a76" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.3">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33332"
                           xFract="0.75039336"
                           y3="4.21984"
                           yFract="0.49998104"
                           z3="8.42901"
                           zFract="0.37934338"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3309"
                           xFract="0.75010664"
                           y3="6.33687"
                           yFract="0.75081398"
                           z3="6.33734"
                           zFract="0.28520882"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.0027"
                           xFract="-0.00031991"
                           y3="6.33164"
                           yFract="0.75019431"
                           z3="8.42326"
                           zFract="0.37908461"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.00606"
                           xFract="-0.00071801"
                           y3="2.10761"
                           yFract="0.24971682"
                           z3="8.43266"
                           zFract="0.37950765"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11165"
                           xFract="0.2501955"
                           y3="4.22345"
                           yFract="0.50040877"
                           z3="4.22269"
                           zFract="0.19004005"/>
                     <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="4.22225"
                           xFract="0.50026659"
                           y3="6.3324"
                           yFract="0.75028436"
                           z3="8.42284"
                           zFract="0.37906571"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.10156"
                           xFract="0.2490"
                           y3="-0.00371"
                           yFract="-0.00043957"
                           z3="8.42807"
                           zFract="0.37930108"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.10171"
                           xFract="0.24901777"
                           y3="4.22361"
                           yFract="0.50042773"
                           z3="8.42806"
                           zFract="0.37930063"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.22772"
                           xFract="0.50091469"
                           y3="6.33224"
                           yFract="0.7502654"
                           z3="4.19908"
                           zFract="0.1889775"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.3358"
                           xFract="0.7506872"
                           y3="2.10055"
                           yFract="0.24888033"
                           z3="6.32984"
                           zFract="0.28487129"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.11013"
                           xFract="0.2500154"
                           y3="6.32759"
                           yFract="0.74971445"
                           z3="6.33584"
                           zFract="0.28514131"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00772"
                           xFract="-0.00091469"
                           y3="6.33449"
                           yFract="0.75053199"
                           z3="4.20901"
                           zFract="0.18942439"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.23205"
                           xFract="0.50142773"
                           y3="2.10617"
                           yFract="0.24954621"
                           z3="8.42456"
                           zFract="0.37914311"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.33213"
                           xFract="0.75025237"
                           y3="0.00358"
                           yFract="0.00042417"
                           z3="4.2256"
                           zFract="0.19017102"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00619"
                           xFract="-0.00073341"
                           y3="2.10724"
                           yFract="0.24967299"
                           z3="4.21874"
                           zFract="0.18986229"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2262"
                           xFract="0.5007346"
                           y3="2.10884"
                           yFract="0.24986256"
                           z3="4.2136"
                           zFract="0.18963096"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33176"
                           xFract="0.75020853"
                           y3="0.00096"
                           yFract="0.00011374"
                           z3="8.46623"
                           zFract="0.38101845"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2279"
                           xFract="0.50093602"
                           y3="0.00501"
                           yFract="0.0005936"
                           z3="6.33789"
                           zFract="0.28523357"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00194"
                           xFract="0.00022986"
                           y3="4.21542"
                           yFract="0.49945735"
                           z3="6.33583"
                           zFract="0.28514086"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1079"
                           xFract="0.24975118"
                           y3="0.00193"
                           yFract="0.00022867"
                           z3="4.21201"
                           zFract="0.18955941"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.33059"
                           xFract="0.75006991"
                           y3="4.21459"
                           yFract="0.499359"
                           z3="4.20958"
                           zFract="0.18945005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.21791"
                           xFract="0.49975237"
                           y3="4.21506"
                           yFract="0.49941469"
                           z3="6.3361"
                           zFract="0.28515302"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.00797"
                           xFract="-0.00094431"
                           y3="0.00456"
                           yFract="0.00054028"
                           z3="6.33897"
                           zFract="0.28528218"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.11004"
                           xFract="0.25000474"
                           y3="2.11212"
                           yFract="0.25025118"
                           z3="6.33117"
                           zFract="0.28493114"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.01959"
                           xFract="-0.00232109"
                           y3="2.11089"
                           yFract="0.25010545"
                           z3="6.34215"
                           zFract="0.28542529"/>
                     <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="2.10906"
                           xFract="0.24988863"
                           y3="-0.02458"
                           yFract="-0.00291232"
                           z3="6.3433"
                           zFract="0.28547705"/>
                     <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="-0.00079"
                           xFract="-0.0000936"
                           y3="-0.02279"
                           yFract="-0.00270024"
                           z3="4.21242"
                           zFract="0.18957786"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00189"
                           xFract="0.00022393"
                           y3="-0.00467"
                           yFract="-0.00055332"
                           z3="8.45692"
                           zFract="0.38059946"/>
                     <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="2.11441"
                           xFract="0.25052251"
                           y3="2.1262"
                           yFract="0.25191943"
                           z3="4.21763"
                           zFract="0.18981233"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11636"
                           xFract="0.25075355"
                           y3="2.11236"
                           yFract="0.25027962"
                           z3="8.4742"
                           zFract="0.38137714"/>
                     <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="4.24129"
                           xFract="0.50252251"
                           y3="2.11203"
                           yFract="0.25024052"
                           z3="6.34917"
                           zFract="0.28574122"/>
                     <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="6.33053"
                           xFract="0.7500628"
                           y3="-0.00726"
                           yFract="-0.00086019"
                           z3="6.2958"
                           zFract="0.28333933"/>
                     <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="4.22165"
                           xFract="0.5001955"
                           y3="0.00488"
                           yFract="0.0005782"
                           z3="4.21178"
                           zFract="0.18954905"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21495"
                           xFract="0.49940166"
                           y3="-0.00173"
                           yFract="-0.00020498"
                           z3="8.46459"
                           zFract="0.38094464"/>
                     <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="6.32518"
                           xFract="0.74942891"
                           y3="2.12937"
                           yFract="0.25229502"
                           z3="4.24036"
                           zFract="0.19083528"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3312"
                           xFract="0.75014218"
                           y3="2.12762"
                           yFract="0.25208768"
                           z3="8.43686"
                           zFract="0.37969667"/>
                     <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="-0.00535"
                           xFract="-0.00063389"
                           y3="6.32972"
                           yFract="0.74996682"
                           z3="6.33119"
                           zFract="0.28493204"/>
                     <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="2.1096"
                           xFract="0.24995261"
                           y3="4.24428"
                           yFract="0.50287678"
                           z3="6.33037"
                           zFract="0.28489514"/>
                     <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="0.0126"
                           xFract="0.00149289"
                           y3="4.24435"
                           yFract="0.50288507"
                           z3="4.22263"
                           zFract="0.19003735"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01805"
                           xFract="-0.00213863"
                           y3="4.22438"
                           yFract="0.50051896"
                           z3="8.45916"
                           zFract="0.38070027"/>
                     <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="2.10848"
                           xFract="0.24981991"
                           y3="6.31577"
                           yFract="0.74831398"
                           z3="4.2449"
                           zFract="0.1910396"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10596"
                           xFract="0.24952133"
                           y3="6.32852"
                           yFract="0.74982464"
                           z3="8.4448"
                           zFract="0.38005401"/>
                     <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="4.22486"
                           xFract="0.50057583"
                           y3="6.32801"
                           yFract="0.74976422"
                           z3="6.32954"
                           zFract="0.28485779"/>
                     <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="6.32942"
                           xFract="0.74993128"
                           y3="4.22697"
                           yFract="0.50082583"
                           z3="6.34926"
                           zFract="0.28574527"/>
                     <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="4.20476"
                           xFract="0.49819431"
                           y3="4.21406"
                           yFract="0.49929621"
                           z3="4.21285"
                           zFract="0.18959721"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23214"
                           xFract="0.50143839"
                           y3="4.22204"
                           yFract="0.50024171"
                           z3="8.46566"
                           zFract="0.3809928"/>
                     <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="6.33062"
                           xFract="0.75007346"
                           y3="6.30976"
                           yFract="0.7476019"
                           z3="4.22693"
                           zFract="0.19023087"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33442"
                           xFract="0.7505237"
                           y3="6.31136"
                           yFract="0.74779147"
                           z3="8.42646"
                           zFract="0.37922862"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.4">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33396"
                           xFract="0.75046919"
                           y3="4.21981"
                           yFract="0.49997749"
                           z3="8.42696"
                           zFract="0.37925113"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.33107"
                           xFract="0.75012678"
                           y3="6.3382"
                           yFract="0.75097156"
                           z3="6.33884"
                           zFract="0.28527633"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.00323"
                           xFract="-0.0003827"
                           y3="6.33196"
                           yFract="0.75023223"
                           z3="8.42011"
                           zFract="0.37894284"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.00722"
                           xFract="-0.00085545"
                           y3="2.10715"
                           yFract="0.24966232"
                           z3="8.43132"
                           zFract="0.37944734"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11196"
                           xFract="0.25023223"
                           y3="4.22411"
                           yFract="0.50048697"
                           z3="4.22324"
                           zFract="0.19006481"/>
                     <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="4.22269"
                           xFract="0.50031872"
                           y3="6.33286"
                           yFract="0.75033886"
                           z3="8.41961"
                           zFract="0.37892034"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.09993"
                           xFract="0.24880687"
                           y3="-0.00443"
                           yFract="-0.00052488"
                           z3="8.42585"
                           zFract="0.37920117"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.10012"
                           xFract="0.24882938"
                           y3="4.2243"
                           yFract="0.50050948"
                           z3="8.42584"
                           zFract="0.37920072"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.22921"
                           xFract="0.50109123"
                           y3="6.33268"
                           yFract="0.75031754"
                           z3="4.19508"
                           zFract="0.18879748"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33692"
                           xFract="0.75081991"
                           y3="2.09872"
                           yFract="0.24866351"
                           z3="6.32989"
                           zFract="0.28487354"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.11015"
                           xFract="0.25001777"
                           y3="6.32712"
                           yFract="0.74965877"
                           z3="6.33705"
                           zFract="0.28519577"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.0092"
                           xFract="-0.00109005"
                           y3="6.33536"
                           yFract="0.75063507"
                           z3="4.20693"
                           zFract="0.18933078"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.23438"
                           xFract="0.50170379"
                           y3="2.10543"
                           yFract="0.24945853"
                           z3="8.42166"
                           zFract="0.3790126"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.33254"
                           xFract="0.75030095"
                           y3="0.00427"
                           yFract="0.00050592"
                           z3="4.22671"
                           zFract="0.19022097"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00738"
                           xFract="-0.00087441"
                           y3="2.10671"
                           yFract="0.24961019"
                           z3="4.21853"
                           zFract="0.18985284"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22739"
                           xFract="0.50087559"
                           y3="2.10862"
                           yFract="0.24983649"
                           z3="4.21241"
                           zFract="0.18957741"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3321"
                           xFract="0.75024882"
                           y3="0.00115"
                           yFract="0.00013626"
                           z3="8.47136"
                           zFract="0.38124932"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.22942"
                           xFract="0.50111611"
                           y3="0.00598"
                           yFract="0.00070853"
                           z3="6.33949"
                           zFract="0.28530558"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00232"
                           xFract="0.00027488"
                           y3="4.21454"
                           yFract="0.49935308"
                           z3="6.33703"
                           zFract="0.28519487"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10749"
                           xFract="0.24970261"
                           y3="0.0023"
                           yFract="0.00027251"
                           z3="4.21051"
                           zFract="0.1894919"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.33071"
                           xFract="0.75008412"
                           y3="4.21354"
                           yFract="0.4992346"
                           z3="4.20761"
                           zFract="0.18936139"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2175"
                           xFract="0.49970379"
                           y3="4.2141"
                           yFract="0.49930095"
                           z3="6.33735"
                           zFract="0.28520927"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.00951"
                           xFract="-0.00112678"
                           y3="0.00544"
                           yFract="0.00064455"
                           z3="6.34077"
                           zFract="0.28536319"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.11004"
                           xFract="0.25000474"
                           y3="2.11252"
                           yFract="0.25029858"
                           z3="6.33147"
                           zFract="0.28494464"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.02337"
                           xFract="-0.00276896"
                           y3="2.11107"
                           yFract="0.25012678"
                           z3="6.34457"
                           zFract="0.2855342"/>
                     <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="2.10887"
                           xFract="0.24986611"
                           y3="-0.02931"
                           yFract="-0.00347275"
                           z3="6.34594"
                           zFract="0.28559586"/>
                     <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="-0.00094"
                           xFract="-0.00011137"
                           y3="-0.02718"
                           yFract="-0.00322038"
                           z3="4.2110"
                           zFract="0.18951395"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00226"
                           xFract="0.00026777"
                           y3="-0.00557"
                           yFract="-0.00065995"
                           z3="8.46026"
                           zFract="0.38074977"/>
                     <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="2.11525"
                           xFract="0.25062204"
                           y3="2.12932"
                           yFract="0.2522891"
                           z3="4.21722"
                           zFract="0.18979388"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11759"
                           xFract="0.25089929"
                           y3="2.11281"
                           yFract="0.25033294"
                           z3="8.48087"
                           zFract="0.38167732"/>
                     <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="4.2454"
                           xFract="0.50300948"
                           y3="2.11243"
                           yFract="0.25028791"
                           z3="6.35295"
                           zFract="0.28591134"/>
                     <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="6.33063"
                           xFract="0.75007464"
                           y3="-0.00866"
                           yFract="-0.00102607"
                           z3="6.28929"
                           zFract="0.28304635"/>
                     <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="4.22197"
                           xFract="0.50023341"
                           y3="0.00582"
                           yFract="0.00068957"
                           z3="4.21024"
                           zFract="0.18947975"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21398"
                           xFract="0.49928673"
                           y3="-0.00206"
                           yFract="-0.00024408"
                           z3="8.4694"
                           zFract="0.38116112"/>
                     <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="6.32425"
                           xFract="0.74931872"
                           y3="2.1331"
                           yFract="0.25273697"
                           z3="4.24432"
                           zFract="0.1910135"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33143"
                           xFract="0.75016943"
                           y3="2.13101"
                           yFract="0.25248934"
                           z3="8.43633"
                           zFract="0.37967282"/>
                     <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="-0.00638"
                           xFract="-0.00075592"
                           y3="6.32967"
                           yFract="0.7499609"
                           z3="6.3315"
                           zFract="0.28494599"/>
                     <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="2.10952"
                           xFract="0.24994313"
                           y3="4.24896"
                           yFract="0.50343128"
                           z3="6.33052"
                           zFract="0.28490189"/>
                     <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="0.01503"
                           xFract="0.00178081"
                           y3="4.24904"
                           yFract="0.50344076"
                           z3="4.22318"
                           zFract="0.19006211"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.02153"
                           xFract="-0.00255095"
                           y3="4.22522"
                           yFract="0.50061848"
                           z3="8.46293"
                           zFract="0.38086994"/>
                     <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="2.10819"
                           xFract="0.24978555"
                           y3="6.31303"
                           yFract="0.74798934"
                           z3="4.24973"
                           zFract="0.19125698"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10519"
                           xFract="0.24943009"
                           y3="6.32824"
                           yFract="0.74979147"
                           z3="8.4458"
                           zFract="0.38009901"/>
                     <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="4.22579"
                           xFract="0.50068602"
                           y3="6.32763"
                           yFract="0.74971919"
                           z3="6.32952"
                           zFract="0.28485689"/>
                     <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="6.32931"
                           xFract="0.74991825"
                           y3="4.22832"
                           yFract="0.50098578"
                           z3="6.35305"
                           zFract="0.28591584"/>
                     <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="4.20182"
                           xFract="0.49784597"
                           y3="4.21292"
                           yFract="0.49916114"
                           z3="4.21151"
                           zFract="0.1895369"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23448"
                           xFract="0.50171564"
                           y3="4.22243"
                           yFract="0.50028791"
                           z3="8.47068"
                           zFract="0.38121872"/>
                     <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="6.33074"
                           xFract="0.75008768"
                           y3="6.30586"
                           yFract="0.74713981"
                           z3="4.22831"
                           zFract="0.19029298"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33527"
                           xFract="0.75062441"
                           y3="6.30777"
                           yFract="0.74736611"
                           z3="8.42393"
                           zFract="0.37911476"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a31" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.5">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33523"
                           xFract="0.75061967"
                           y3="4.21975"
                           yFract="0.49997038"
                           z3="8.42288"
                           zFract="0.37906751"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.33142"
                           xFract="0.75016825"
                           y3="6.34085"
                           yFract="0.75128555"
                           z3="6.34183"
                           zFract="0.28541089"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.00427"
                           xFract="-0.00050592"
                           y3="6.33259"
                           yFract="0.75030687"
                           z3="8.41382"
                           zFract="0.37865977"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.00956"
                           xFract="-0.0011327"
                           y3="2.10623"
                           yFract="0.24955332"
                           z3="8.42865"
                           zFract="0.37932718"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1126"
                           xFract="0.25030806"
                           y3="4.22544"
                           yFract="0.50064455"
                           z3="4.22435"
                           zFract="0.19011476"/>
                     <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="4.22356"
                           xFract="0.5004218"
                           y3="6.33379"
                           yFract="0.75044905"
                           z3="8.41314"
                           zFract="0.37862916"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.09668"
                           xFract="0.2484218"
                           y3="-0.00586"
                           yFract="-0.00069431"
                           z3="8.42141"
                           zFract="0.37900135"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09692"
                           xFract="0.24845024"
                           y3="4.22569"
                           yFract="0.50067417"
                           z3="8.42139"
                           zFract="0.37900045"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.23219"
                           xFract="0.50144431"
                           y3="6.33354"
                           yFract="0.75041943"
                           z3="4.1871"
                           zFract="0.18843834"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33916"
                           xFract="0.75108531"
                           y3="2.09508"
                           yFract="0.24823223"
                           z3="6.32999"
                           zFract="0.28487804"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1102"
                           xFract="0.2500237"
                           y3="6.32619"
                           yFract="0.74954858"
                           z3="6.33946"
                           zFract="0.28530423"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.01218"
                           xFract="-0.00144313"
                           y3="6.33709"
                           yFract="0.75084005"
                           z3="4.20277"
                           zFract="0.18914356"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.23902"
                           xFract="0.50225355"
                           y3="2.10396"
                           yFract="0.24928436"
                           z3="8.41587"
                           zFract="0.37875203"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.33336"
                           xFract="0.7503981"
                           y3="0.00565"
                           yFract="0.00066943"
                           z3="4.22895"
                           zFract="0.19032178"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00977"
                           xFract="-0.00115758"
                           y3="2.10565"
                           yFract="0.2494846"
                           z3="4.21812"
                           zFract="0.18983438"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22978"
                           xFract="0.50115877"
                           y3="2.10817"
                           yFract="0.24978318"
                           z3="4.21002"
                           zFract="0.18946985"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33277"
                           xFract="0.7503282"
                           y3="0.00152"
                           yFract="0.00018009"
                           z3="8.48162"
                           zFract="0.38171107"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.23246"
                           xFract="0.5014763"
                           y3="0.00791"
                           yFract="0.0009372"
                           z3="6.34269"
                           zFract="0.28544959"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00307"
                           xFract="0.00036374"
                           y3="4.21277"
                           yFract="0.49914336"
                           z3="6.33944"
                           zFract="0.28530333"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10668"
                           xFract="0.24960664"
                           y3="0.00305"
                           yFract="0.00036137"
                           z3="4.20751"
                           zFract="0.18935689"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.33094"
                           xFract="0.75011137"
                           y3="4.21146"
                           yFract="0.49898815"
                           z3="4.20367"
                           zFract="0.18918407"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2167"
                           xFract="0.499609"
                           y3="4.2122"
                           yFract="0.49907583"
                           z3="6.33986"
                           zFract="0.28532223"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.01258"
                           xFract="-0.00149052"
                           y3="0.0072"
                           yFract="0.00085308"
                           z3="6.34439"
                           zFract="0.2855261"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.11006"
                           xFract="0.25000711"
                           y3="2.11334"
                           yFract="0.25039573"
                           z3="6.33208"
                           zFract="0.2849721"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.03092"
                           xFract="-0.00366351"
                           y3="2.11141"
                           yFract="0.25016706"
                           z3="6.34941"
                           zFract="0.28575203"/>
                     <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="2.10851"
                           xFract="0.24982346"
                           y3="-0.03879"
                           yFract="-0.00459597"
                           z3="6.35122"
                           zFract="0.28583348"/>
                     <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="-0.00124"
                           xFract="-0.00014692"
                           y3="-0.03596"
                           yFract="-0.00426066"
                           z3="4.20815"
                           zFract="0.18938569"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00299"
                           xFract="0.00035427"
                           y3="-0.00737"
                           yFract="-0.00087322"
                           z3="8.46693"
                           zFract="0.38104995"/>
                     <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="2.11695"
                           xFract="0.25082346"
                           y3="2.13557"
                           yFract="0.25302962"
                           z3="4.21638"
                           zFract="0.18975608"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12004"
                           xFract="0.25118957"
                           y3="2.11372"
                           yFract="0.25044076"
                           z3="8.4942"
                           zFract="0.38227723"/>
                     <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="4.2536"
                           xFract="0.50398104"
                           y3="2.11321"
                           yFract="0.25038033"
                           z3="6.36049"
                           zFract="0.28625068"/>
                     <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="6.33083"
                           xFract="0.75009834"
                           y3="-0.01146"
                           yFract="-0.00135782"
                           z3="6.27627"
                           zFract="0.2824604"/>
                     <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="4.2226"
                           xFract="0.50030806"
                           y3="0.00769"
                           yFract="0.00091114"
                           z3="4.20715"
                           zFract="0.18934068"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21204"
                           xFract="0.49905687"
                           y3="-0.00273"
                           yFract="-0.00032346"
                           z3="8.47903"
                           zFract="0.38159451"/>
                     <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="6.32239"
                           xFract="0.74909834"
                           y3="2.14056"
                           yFract="0.25362085"
                           z3="4.25225"
                           zFract="0.19137039"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33189"
                           xFract="0.75022393"
                           y3="2.1378"
                           yFract="0.25329384"
                           z3="8.43527"
                           zFract="0.37962511"/>
                     <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="-0.00844"
                           xFract="-0.0010"
                           y3="6.32956"
                           yFract="0.74994787"
                           z3="6.33211"
                           zFract="0.28497345"/>
                     <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="2.10937"
                           xFract="0.24992536"
                           y3="4.25831"
                           yFract="0.5045391"
                           z3="6.33082"
                           zFract="0.28491539"/>
                     <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="0.01988"
                           xFract="0.00235545"
                           y3="4.25843"
                           yFract="0.50455332"
                           z3="4.22427"
                           zFract="0.19011116"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.02848"
                           xFract="-0.00337441"
                           y3="4.22691"
                           yFract="0.50081872"
                           z3="8.47046"
                           zFract="0.38120882"/>
                     <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="2.1076"
                           xFract="0.24971564"
                           y3="6.30755"
                           yFract="0.74734005"
                           z3="4.2594"
                           zFract="0.19169217"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10363"
                           xFract="0.24924526"
                           y3="6.32767"
                           yFract="0.74972393"
                           z3="8.4478"
                           zFract="0.38018902"/>
                     <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="4.22766"
                           xFract="0.50090758"
                           y3="6.32686"
                           yFract="0.74962796"
                           z3="6.3295"
                           zFract="0.28485599"/>
                     <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="6.32909"
                           xFract="0.74989218"
                           y3="4.23101"
                           yFract="0.5013045"
                           z3="6.36064"
                           zFract="0.28625743"/>
                     <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="4.19595"
                           xFract="0.49715047"
                           y3="4.21063"
                           yFract="0.49888981"
                           z3="4.20884"
                           zFract="0.18941674"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23916"
                           xFract="0.50227014"
                           y3="4.22322"
                           yFract="0.50038152"
                           z3="8.48072"
                           zFract="0.38167057"/>
                     <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="6.33098"
                           xFract="0.75011611"
                           y3="6.29806"
                           yFract="0.74621564"
                           z3="4.23106"
                           zFract="0.19041674"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33697"
                           xFract="0.75082583"
                           y3="6.30058"
                           yFract="0.74651422"
                           z3="8.41887"
                           zFract="0.37888704"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a12 a32" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a31" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a35" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.6">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33779"
                           xFract="0.75092299"
                           y3="4.21962"
                           yFract="0.49995498"
                           z3="8.41472"
                           zFract="0.37870027"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.33211"
                           xFract="0.75025"
                           y3="6.34614"
                           yFract="0.75191232"
                           z3="6.3478"
                           zFract="0.28567957"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.00635"
                           xFract="-0.00075237"
                           y3="6.33385"
                           yFract="0.75045616"
                           z3="8.40122"
                           zFract="0.37809271"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01422"
                           xFract="-0.00168483"
                           y3="2.10439"
                           yFract="0.24933531"
                           z3="8.4233"
                           zFract="0.37908641"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11387"
                           xFract="0.25045853"
                           y3="4.2281"
                           yFract="0.50095972"
                           z3="4.22658"
                           zFract="0.19021512"/>
                     <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="4.2253"
                           xFract="0.50062796"
                           y3="6.33564"
                           yFract="0.75066825"
                           z3="8.40022"
                           zFract="0.3780477"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.09017"
                           xFract="0.24765047"
                           y3="-0.00872"
                           yFract="-0.00103318"
                           z3="8.41252"
                           zFract="0.37860126"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09053"
                           xFract="0.24769313"
                           y3="4.22847"
                           yFract="0.50100355"
                           z3="8.4125"
                           zFract="0.37860036"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.23814"
                           xFract="0.50214929"
                           y3="6.33527"
                           yFract="0.75062441"
                           z3="4.17113"
                           zFract="0.18771962"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.34363"
                           xFract="0.75161493"
                           y3="2.08779"
                           yFract="0.24736848"
                           z3="6.33019"
                           zFract="0.28488704"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1103"
                           xFract="0.25003555"
                           y3="6.32433"
                           yFract="0.7493282"
                           z3="6.34428"
                           zFract="0.28552115"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.01813"
                           xFract="-0.0021481"
                           y3="6.34056"
                           yFract="0.75125118"
                           z3="4.19446"
                           zFract="0.18876958"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.24831"
                           xFract="0.50335427"
                           y3="2.1010"
                           yFract="0.24893365"
                           z3="8.40428"
                           zFract="0.37823042"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.33499"
                           xFract="0.75059123"
                           y3="0.00841"
                           yFract="0.00099645"
                           z3="4.23341"
                           zFract="0.1905225"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01454"
                           xFract="-0.00172275"
                           y3="2.10353"
                           yFract="0.24923341"
                           z3="4.2173"
                           zFract="0.18979748"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23455"
                           xFract="0.50172393"
                           y3="2.10728"
                           yFract="0.24967773"
                           z3="4.20524"
                           zFract="0.18925473"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33413"
                           xFract="0.75048934"
                           y3="0.00226"
                           yFract="0.00026777"
                           z3="8.50214"
                           zFract="0.38263456"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.23855"
                           xFract="0.50219787"
                           y3="0.01178"
                           yFract="0.00139573"
                           z3="6.34909"
                           zFract="0.28573762"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00456"
                           xFract="0.00054028"
                           y3="4.20924"
                           yFract="0.49872512"
                           z3="6.34425"
                           zFract="0.2855198"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10507"
                           xFract="0.24941588"
                           y3="0.00453"
                           yFract="0.00053673"
                           z3="4.20151"
                           zFract="0.18908686"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.33139"
                           xFract="0.75016469"
                           y3="4.20728"
                           yFract="0.49849289"
                           z3="4.19579"
                           zFract="0.18882943"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.21508"
                           xFract="0.49941706"
                           y3="4.20839"
                           yFract="0.49862441"
                           z3="6.34488"
                           zFract="0.28554815"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.01873"
                           xFract="-0.00221919"
                           y3="0.01072"
                           yFract="0.00127014"
                           z3="6.35162"
                           zFract="0.28585149"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.11009"
                           xFract="0.25001066"
                           y3="2.11497"
                           yFract="0.25058886"
                           z3="6.3333"
                           zFract="0.285027"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.04602"
                           xFract="-0.00545261"
                           y3="2.1121"
                           yFract="0.25024882"
                           z3="6.35909"
                           zFract="0.28618767"/>
                     <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="2.10778"
                           xFract="0.24973697"
                           y3="-0.05773"
                           yFract="-0.00684005"
                           z3="6.36179"
                           zFract="0.28630918"/>
                     <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="-0.00185"
                           xFract="-0.00021919"
                           y3="-0.05353"
                           yFract="-0.00634242"
                           z3="4.20246"
                           zFract="0.18912961"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00445"
                           xFract="0.00052725"
                           y3="-0.01097"
                           yFract="-0.00129976"
                           z3="8.48028"
                           zFract="0.38165077"/>
                     <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="2.12035"
                           xFract="0.2512263"
                           y3="2.14805"
                           yFract="0.25450829"
                           z3="4.21471"
                           zFract="0.18968092"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12494"
                           xFract="0.25177014"
                           y3="2.11554"
                           yFract="0.2506564"
                           z3="8.52087"
                           zFract="0.3834775"/>
                     <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="4.27002"
                           xFract="0.50592654"
                           y3="2.11478"
                           yFract="0.25056635"
                           z3="6.37559"
                           zFract="0.28693024"/>
                     <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="6.33124"
                           xFract="0.75014692"
                           y3="-0.01706"
                           yFract="-0.00202133"
                           z3="6.25023"
                           zFract="0.28128848"/>
                     <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="4.22387"
                           xFract="0.50045853"
                           y3="0.01145"
                           yFract="0.00135664"
                           z3="4.20097"
                           zFract="0.18906256"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20815"
                           xFract="0.49859597"
                           y3="-0.00406"
                           yFract="-0.00048104"
                           z3="8.49829"
                           zFract="0.3824613"/>
                     <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="6.31868"
                           xFract="0.74865877"
                           y3="2.15549"
                           yFract="0.25538981"
                           z3="4.2681"
                           zFract="0.19208371"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33282"
                           xFract="0.75033412"
                           y3="2.15139"
                           yFract="0.25490403"
                           z3="8.43316"
                           zFract="0.37953015"/>
                     <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="-0.01256"
                           xFract="-0.00148815"
                           y3="6.32935"
                           yFract="0.74992299"
                           z3="6.33335"
                           zFract="0.28502925"/>
                     <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="2.10906"
                           xFract="0.24988863"
                           y3="4.27702"
                           yFract="0.50675592"
                           z3="6.33142"
                           zFract="0.28494239"/>
                     <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="0.02959"
                           xFract="0.00350592"
                           y3="4.27719"
                           yFract="0.50677607"
                           z3="4.22645"
                           zFract="0.19020927"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.04239"
                           xFract="-0.00502251"
                           y3="4.23028"
                           yFract="0.50121801"
                           z3="8.48554"
                           zFract="0.38188749"/>
                     <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="2.10643"
                           xFract="0.24957701"
                           y3="6.29658"
                           yFract="0.74604028"
                           z3="4.27875"
                           zFract="0.19256301"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10052"
                           xFract="0.24887678"
                           y3="6.32653"
                           yFract="0.74958886"
                           z3="8.45181"
                           zFract="0.38036949"/>
                     <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="4.23141"
                           xFract="0.5013519"
                           y3="6.32533"
                           yFract="0.74944668"
                           z3="6.32946"
                           zFract="0.28485419"/>
                     <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="6.32865"
                           xFract="0.74984005"
                           y3="4.23638"
                           yFract="0.50194076"
                           z3="6.3758"
                           zFract="0.28693969"/>
                     <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="4.1842"
                           xFract="0.49575829"
                           y3="4.20605"
                           yFract="0.49834716"
                           z3="4.20348"
                           zFract="0.18917552"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.24852"
                           xFract="0.50337915"
                           y3="4.22479"
                           yFract="0.50056754"
                           z3="8.5008"
                           zFract="0.38257426"/>
                     <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="6.33145"
                           xFract="0.7501718"
                           y3="6.28247"
                           yFract="0.74436848"
                           z3="4.23656"
                           zFract="0.19066427"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.34038"
                           xFract="0.75122986"
                           y3="6.28621"
                           yFract="0.74481161"
                           z3="8.40875"
                           zFract="0.37843159"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a36" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a12 a32" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a31" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a31" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a35" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.7">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33689"
                           xFract="0.75081635"
                           y3="4.21967"
                           yFract="0.4999609"
                           z3="8.41759"
                           zFract="0.37882943"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.33187"
                           xFract="0.75022156"
                           y3="6.34428"
                           yFract="0.75169194"
                           z3="6.3457"
                           zFract="0.28558506"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.00562"
                           xFract="-0.00066588"
                           y3="6.33341"
                           yFract="0.75040403"
                           z3="8.40566"
                           zFract="0.37829253"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01258"
                           xFract="-0.00149052"
                           y3="2.10504"
                           yFract="0.24941232"
                           z3="8.42518"
                           zFract="0.37917102"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11342"
                           xFract="0.25040521"
                           y3="4.22716"
                           yFract="0.50084834"
                           z3="4.2258"
                           zFract="0.19018002"/>
                     <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="4.22468"
                           xFract="0.5005545"
                           y3="6.33499"
                           yFract="0.75059123"
                           z3="8.40477"
                           zFract="0.37825248"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.09246"
                           xFract="0.2479218"
                           y3="-0.00771"
                           yFract="-0.00091351"
                           z3="8.41565"
                           zFract="0.37874212"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09278"
                           xFract="0.24795972"
                           y3="4.22749"
                           yFract="0.50088744"
                           z3="8.41563"
                           zFract="0.37874122"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.23604"
                           xFract="0.50190047"
                           y3="6.33466"
                           yFract="0.75055213"
                           z3="4.17675"
                           zFract="0.18797255"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.34206"
                           xFract="0.75142891"
                           y3="2.09036"
                           yFract="0.24767299"
                           z3="6.33012"
                           zFract="0.28488389"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.11026"
                           xFract="0.25003081"
                           y3="6.32499"
                           yFract="0.7494064"
                           z3="6.34258"
                           zFract="0.28544464"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.01603"
                           xFract="-0.00189929"
                           y3="6.33934"
                           yFract="0.75110664"
                           z3="4.19738"
                           zFract="0.18890099"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.24504"
                           xFract="0.50296682"
                           y3="2.10204"
                           yFract="0.24905687"
                           z3="8.40836"
                           zFract="0.37841404"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.33442"
                           xFract="0.7505237"
                           y3="0.00744"
                           yFract="0.00088152"
                           z3="4.23184"
                           zFract="0.19045185"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01286"
                           xFract="-0.0015237"
                           y3="2.10427"
                           yFract="0.24932109"
                           z3="4.21759"
                           zFract="0.18981053"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23287"
                           xFract="0.50152488"
                           y3="2.10759"
                           yFract="0.24971445"
                           z3="4.20692"
                           zFract="0.18933033"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33365"
                           xFract="0.75043246"
                           y3="0.0020"
                           yFract="0.00023697"
                           z3="8.49492"
                           zFract="0.38230963"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2364"
                           xFract="0.50194313"
                           y3="0.01042"
                           yFract="0.0012346"
                           z3="6.34684"
                           zFract="0.28563636"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00404"
                           xFract="0.00047867"
                           y3="4.21048"
                           yFract="0.49887204"
                           z3="6.34256"
                           zFract="0.28544374"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10564"
                           xFract="0.24948341"
                           y3="0.00401"
                           yFract="0.00047512"
                           z3="4.20363"
                           zFract="0.18918227"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.33123"
                           xFract="0.75014573"
                           y3="4.20875"
                           yFract="0.49866706"
                           z3="4.19856"
                           zFract="0.1889541"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.21565"
                           xFract="0.4994846"
                           y3="4.20973"
                           yFract="0.49878318"
                           z3="6.34311"
                           zFract="0.2854685"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.01657"
                           xFract="-0.00196327"
                           y3="0.00948"
                           yFract="0.00112322"
                           z3="6.34907"
                           zFract="0.28573672"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.11008"
                           xFract="0.25000948"
                           y3="2.1144"
                           yFract="0.25052133"
                           z3="6.33287"
                           zFract="0.28500765"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.04071"
                           xFract="-0.00482346"
                           y3="2.11186"
                           yFract="0.25022038"
                           z3="6.35569"
                           zFract="0.28603465"/>
                     <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="2.10804"
                           xFract="0.24976777"
                           y3="-0.05106"
                           yFract="-0.00604976"
                           z3="6.35807"
                           zFract="0.28614176"/>
                     <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="-0.00164"
                           xFract="-0.00019431"
                           y3="-0.04735"
                           yFract="-0.00561019"
                           z3="4.20446"
                           zFract="0.18921962"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00393"
                           xFract="0.00046564"
                           y3="-0.0097"
                           yFract="-0.00114929"
                           z3="8.47559"
                           zFract="0.38143969"/>
                     <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="2.11915"
                           xFract="0.25108412"
                           y3="2.14366"
                           yFract="0.25398815"
                           z3="4.2153"
                           zFract="0.18970747"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12321"
                           xFract="0.25156517"
                           y3="2.1149"
                           yFract="0.25058057"
                           z3="8.51149"
                           zFract="0.38305536"/>
                     <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="4.26424"
                           xFract="0.50524171"
                           y3="2.11423"
                           yFract="0.25050118"
                           z3="6.37028"
                           zFract="0.28669127"/>
                     <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="6.3311"
                           xFract="0.75013033"
                           y3="-0.01509"
                           yFract="-0.00178791"
                           z3="6.2594"
                           zFract="0.28170117"/>
                     <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="4.22343"
                           xFract="0.5004064"
                           y3="0.01013"
                           yFract="0.00120024"
                           z3="4.20315"
                           zFract="0.18916067"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20952"
                           xFract="0.49875829"
                           y3="-0.00359"
                           yFract="-0.00042536"
                           z3="8.49151"
                           zFract="0.38215617"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.31998"
                           xFract="0.7488128"
                           y3="2.15024"
                           yFract="0.25476777"
                           z3="4.26252"
                           zFract="0.19183258"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33249"
                           xFract="0.75029502"
                           y3="2.14661"
                           yFract="0.25433768"
                           z3="8.43391"
                           zFract="0.37956391"/>
                     <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="-0.01111"
                           xFract="-0.00131635"
                           y3="6.32942"
                           yFract="0.74993128"
                           z3="6.33291"
                           zFract="0.28500945"/>
                     <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="2.10917"
                           xFract="0.24990166"
                           y3="4.27044"
                           yFract="0.5059763"
                           z3="6.33121"
                           zFract="0.28493294"/>
                     <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="0.02617"
                           xFract="0.00310071"
                           y3="4.27059"
                           yFract="0.50599408"
                           z3="4.22568"
                           zFract="0.19017462"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0375"
                           xFract="-0.00444313"
                           y3="4.22909"
                           yFract="0.50107701"
                           z3="8.48023"
                           zFract="0.38164851"/>
                     <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="2.10684"
                           xFract="0.24962559"
                           y3="6.30044"
                           yFract="0.74649763"
                           z3="4.27194"
                           zFract="0.19225653"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10161"
                           xFract="0.24900592"
                           y3="6.32693"
                           yFract="0.74963626"
                           z3="8.4504"
                           zFract="0.38030603"/>
                     <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="4.23009"
                           xFract="0.5011955"
                           y3="6.32587"
                           yFract="0.74951066"
                           z3="6.32948"
                           zFract="0.28485509"/>
                     <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="6.3288"
                           xFract="0.74985782"
                           y3="4.23449"
                           yFract="0.50171682"
                           z3="6.37047"
                           zFract="0.28669982"/>
                     <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="4.18833"
                           xFract="0.49624763"
                           y3="4.20766"
                           yFract="0.49853791"
                           z3="4.20537"
                           zFract="0.18926058"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.24523"
                           xFract="0.50298934"
                           y3="4.22423"
                           yFract="0.50050118"
                           z3="8.49374"
                           zFract="0.38225653"/>
                     <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="6.33128"
                           xFract="0.75015166"
                           y3="6.28796"
                           yFract="0.74501896"
                           z3="4.23462"
                           zFract="0.19057696"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33918"
                           xFract="0.75108768"
                           y3="6.29127"
                           yFract="0.74541114"
                           z3="8.41231"
                           zFract="0.37859181"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a36" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a12 a32" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a31" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a31" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a35" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.8">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33503"
                           xFract="0.75059597"
                           y3="4.22078"
                           yFract="0.50009242"
                           z3="8.42396"
                           zFract="0.37911611"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.33207"
                           xFract="0.75024526"
                           y3="6.33561"
                           yFract="0.75066469"
                           z3="6.34503"
                           zFract="0.28555491"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.0057"
                           xFract="-0.00067536"
                           y3="6.3333"
                           yFract="0.750391"
                           z3="8.39127"
                           zFract="0.37764491"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01331"
                           xFract="-0.00157701"
                           y3="2.10608"
                           yFract="0.24953555"
                           z3="8.42969"
                           zFract="0.37937399"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11243"
                           xFract="0.25028791"
                           y3="4.23564"
                           yFract="0.50185308"
                           z3="4.2284"
                           zFract="0.19029703"/>
                     <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="4.22298"
                           xFract="0.50035308"
                           y3="6.33445"
                           yFract="0.75052725"
                           z3="8.39713"
                           zFract="0.37790864"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.09043"
                           xFract="0.24768128"
                           y3="-0.00908"
                           yFract="-0.00107583"
                           z3="8.42508"
                           zFract="0.37916652"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09024"
                           xFract="0.24765877"
                           y3="4.22871"
                           yFract="0.50103199"
                           z3="8.4242"
                           zFract="0.37912691"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.23201"
                           xFract="0.50142299"
                           y3="6.33209"
                           yFract="0.75024763"
                           z3="4.17461"
                           zFract="0.18787624"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33901"
                           xFract="0.75106754"
                           y3="2.09353"
                           yFract="0.24804858"
                           z3="6.33285"
                           zFract="0.28500675"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.10976"
                           xFract="0.24997156"
                           y3="6.32744"
                           yFract="0.74969668"
                           z3="6.34244"
                           zFract="0.28543834"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.01233"
                           xFract="-0.0014609"
                           y3="6.33549"
                           yFract="0.75065047"
                           z3="4.20049"
                           zFract="0.18904095"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.24963"
                           xFract="0.50351066"
                           y3="2.10419"
                           yFract="0.24931161"
                           z3="8.41969"
                           zFract="0.37892394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.33457"
                           xFract="0.75054147"
                           y3="0.01294"
                           yFract="0.00153318"
                           z3="4.21706"
                           zFract="0.18978668"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01739"
                           xFract="-0.00206043"
                           y3="2.10636"
                           yFract="0.24956872"
                           z3="4.21503"
                           zFract="0.18969532"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23583"
                           xFract="0.50187559"
                           y3="2.10802"
                           yFract="0.2497654"
                           z3="4.21113"
                           zFract="0.1895198"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3347"
                           xFract="0.75055687"
                           y3="-0.00015"
                           yFract="-0.00001777"
                           z3="8.52081"
                           zFract="0.3834748"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.23808"
                           xFract="0.50214218"
                           y3="0.00733"
                           yFract="0.00086848"
                           z3="6.35487"
                           zFract="0.28599775"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00378"
                           xFract="-0.00044787"
                           y3="4.21544"
                           yFract="0.49945972"
                           z3="6.34379"
                           zFract="0.2854991"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10552"
                           xFract="0.24946919"
                           y3="0.0017"
                           yFract="0.00020142"
                           z3="4.20494"
                           zFract="0.18924122"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.33196"
                           xFract="0.75023223"
                           y3="4.20645"
                           yFract="0.49839455"
                           z3="4.20185"
                           zFract="0.18910216"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.22334"
                           xFract="0.50039573"
                           y3="4.21152"
                           yFract="0.49899526"
                           z3="6.34811"
                           zFract="0.28569352"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.01837"
                           xFract="-0.00217654"
                           y3="0.00365"
                           yFract="0.00043246"
                           z3="6.35727"
                           zFract="0.28610576"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.11283"
                           xFract="0.25033531"
                           y3="2.11243"
                           yFract="0.25028791"
                           z3="6.33825"
                           zFract="0.28524977"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.03565"
                           xFract="-0.00422393"
                           y3="2.10922"
                           yFract="0.24990758"
                           z3="6.3598"
                           zFract="0.28621962"/>
                     <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="2.1088"
                           xFract="0.24985782"
                           y3="-0.04426"
                           yFract="-0.00524408"
                           z3="6.35892"
                           zFract="0.28618002"/>
                     <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="-0.00123"
                           xFract="-0.00014573"
                           y3="-0.05732"
                           yFract="-0.00679147"
                           z3="4.20232"
                           zFract="0.18912331"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01666"
                           xFract="-0.00197393"
                           y3="-0.00972"
                           yFract="-0.00115166"
                           z3="8.49153"
                           zFract="0.38215707"/>
                     <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="2.11414"
                           xFract="0.25049052"
                           y3="2.15077"
                           yFract="0.25483057"
                           z3="4.23337"
                           zFract="0.1905207"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12224"
                           xFract="0.25145024"
                           y3="2.11891"
                           yFract="0.25105569"
                           z3="8.51597"
                           zFract="0.38325698"/>
                     <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="4.26535"
                           xFract="0.50537322"
                           y3="2.11174"
                           yFract="0.25020616"
                           z3="6.37892"
                           zFract="0.28708011"/>
                     <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="6.3306"
                           xFract="0.75007109"
                           y3="-0.01671"
                           yFract="-0.00197986"
                           z3="6.23489"
                           zFract="0.28059811"/>
                     <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="4.22234"
                           xFract="0.50027725"
                           y3="-0.01103"
                           yFract="-0.00130687"
                           z3="4.20026"
                           zFract="0.1890306"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22729"
                           xFract="0.50086374"
                           y3="-0.00582"
                           yFract="-0.00068957"
                           z3="8.5054"
                           zFract="0.38278128"/>
                     <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="6.3269"
                           xFract="0.7496327"
                           y3="2.16167"
                           yFract="0.25612204"
                           z3="4.27617"
                           zFract="0.19244689"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33848"
                           xFract="0.75100474"
                           y3="2.15826"
                           yFract="0.25571801"
                           z3="8.43102"
                           zFract="0.37943384"/>
                     <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="-0.01667"
                           xFract="-0.00197512"
                           y3="6.33246"
                           yFract="0.75029147"
                           z3="6.33837"
                           zFract="0.28525518"/>
                     <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="2.10991"
                           xFract="0.24998934"
                           y3="4.26411"
                           yFract="0.5052263"
                           z3="6.34235"
                           zFract="0.28543429"/>
                     <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="0.03759"
                           xFract="0.00445379"
                           y3="4.28015"
                           yFract="0.50712678"
                           z3="4.23046"
                           zFract="0.19038974"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.05332"
                           xFract="-0.00631754"
                           y3="4.22974"
                           yFract="0.50115403"
                           z3="8.49401"
                           zFract="0.38226868"/>
                     <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="2.11311"
                           xFract="0.25036848"
                           y3="6.29916"
                           yFract="0.74634597"
                           z3="4.28661"
                           zFract="0.19291674"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10076"
                           xFract="0.24890521"
                           y3="6.3209"
                           yFract="0.7489218"
                           z3="8.45535"
                           zFract="0.3805288"/>
                     <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="4.23606"
                           xFract="0.50190284"
                           y3="6.3278"
                           yFract="0.74973934"
                           z3="6.32726"
                           zFract="0.28475518"/>
                     <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="6.32717"
                           xFract="0.74966469"
                           y3="4.24035"
                           yFract="0.50241114"
                           z3="6.37589"
                           zFract="0.28694374"/>
                     <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="4.17722"
                           xFract="0.49493128"
                           y3="4.22721"
                           yFract="0.50085427"
                           z3="4.20263"
                           zFract="0.18913726"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.25677"
                           xFract="0.50435664"
                           y3="4.22865"
                           yFract="0.50102488"
                           z3="8.50572"
                           zFract="0.38279568"/>
                     <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="6.32569"
                           xFract="0.74948934"
                           y3="6.27643"
                           yFract="0.74365284"
                           z3="4.24355"
                           zFract="0.19097885"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33881"
                           xFract="0.75104384"
                           y3="6.27644"
                           yFract="0.74365403"
                           z3="8.40154"
                           zFract="0.37810711"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a36" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a12 a32" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a31" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a35" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a69" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.9">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.3327"
                           xFract="0.75031991"
                           y3="4.22216"
                           yFract="0.50025592"
                           z3="8.43192"
                           zFract="0.37947435"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.33232"
                           xFract="0.75027488"
                           y3="6.32478"
                           yFract="0.74938152"
                           z3="6.3442"
                           zFract="0.28551755"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.0058"
                           xFract="-0.0006872"
                           y3="6.33317"
                           yFract="0.75037559"
                           z3="8.37329"
                           zFract="0.37683573"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01421"
                           xFract="-0.00168365"
                           y3="2.10738"
                           yFract="0.24968957"
                           z3="8.43531"
                           zFract="0.37962691"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11118"
                           xFract="0.25013981"
                           y3="4.24624"
                           yFract="0.503109"
                           z3="4.23167"
                           zFract="0.19044419"/>
                     <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="4.22086"
                           xFract="0.5001019"
                           y3="6.33378"
                           yFract="0.75044787"
                           z3="8.38759"
                           zFract="0.3774793"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.08791"
                           xFract="0.2473827"
                           y3="-0.01079"
                           yFract="-0.00127844"
                           z3="8.43686"
                           zFract="0.37969667"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08706"
                           xFract="0.24728199"
                           y3="4.23024"
                           yFract="0.50121327"
                           z3="8.43491"
                           zFract="0.37960891"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.22696"
                           xFract="0.50082464"
                           y3="6.32888"
                           yFract="0.7498673"
                           z3="4.17194"
                           zFract="0.18775608"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.3352"
                           xFract="0.75061611"
                           y3="2.0975"
                           yFract="0.24851896"
                           z3="6.33625"
                           zFract="0.28515977"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.10913"
                           xFract="0.24989692"
                           y3="6.33051"
                           yFract="0.75006043"
                           z3="6.34226"
                           zFract="0.28543024"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.0077"
                           xFract="-0.00091232"
                           y3="6.33069"
                           yFract="0.75008175"
                           z3="4.20437"
                           zFract="0.18921557"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.25537"
                           xFract="0.50419076"
                           y3="2.10687"
                           yFract="0.24962915"
                           z3="8.43384"
                           zFract="0.37956076"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.33476"
                           xFract="0.75056398"
                           y3="0.01982"
                           yFract="0.00234834"
                           z3="4.1986"
                           zFract="0.1889559"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02306"
                           xFract="-0.00273223"
                           y3="2.10897"
                           yFract="0.24987796"
                           z3="4.21183"
                           zFract="0.18955131"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23953"
                           xFract="0.50231398"
                           y3="2.10855"
                           yFract="0.2498282"
                           z3="4.21639"
                           zFract="0.18975653"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33601"
                           xFract="0.75071209"
                           y3="-0.00284"
                           yFract="-0.00033649"
                           z3="8.55316"
                           zFract="0.38493069"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.24018"
                           xFract="0.502391"
                           y3="0.00347"
                           yFract="0.00041114"
                           z3="6.36491"
                           zFract="0.28644959"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01356"
                           xFract="-0.00160664"
                           y3="4.22163"
                           yFract="0.50019313"
                           z3="6.34532"
                           zFract="0.28556796"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10537"
                           xFract="0.24945142"
                           y3="-0.00119"
                           yFract="-0.000141"
                           z3="4.20658"
                           zFract="0.18931503"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.33287"
                           xFract="0.75034005"
                           y3="4.20358"
                           yFract="0.4980545"
                           z3="4.20595"
                           zFract="0.18928668"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23295"
                           xFract="0.50153436"
                           y3="4.21376"
                           yFract="0.49926066"
                           z3="6.35436"
                           zFract="0.2859748"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.02063"
                           xFract="-0.00244431"
                           y3="-0.00363"
                           yFract="-0.00043009"
                           z3="6.3675"
                           zFract="0.28656616"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.11626"
                           xFract="0.25074171"
                           y3="2.10996"
                           yFract="0.24999526"
                           z3="6.34497"
                           zFract="0.28555221"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.02934"
                           xFract="-0.0034763"
                           y3="2.10593"
                           yFract="0.24951777"
                           z3="6.36495"
                           zFract="0.2864514"/>
                     <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="2.10974"
                           xFract="0.24996919"
                           y3="-0.03577"
                           yFract="-0.00423815"
                           z3="6.35998"
                           zFract="0.28622772"/>
                     <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="-0.00071"
                           xFract="-0.00008412"
                           y3="-0.06979"
                           yFract="-0.00826896"
                           z3="4.19963"
                           zFract="0.18900225"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.04239"
                           xFract="-0.00502251"
                           y3="-0.00974"
                           yFract="-0.00115403"
                           z3="8.51145"
                           zFract="0.38305356"/>
                     <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="2.10789"
                           xFract="0.24975"
                           y3="2.15967"
                           yFract="0.25588507"
                           z3="4.25595"
                           zFract="0.1915369"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12102"
                           xFract="0.25130569"
                           y3="2.12392"
                           yFract="0.25164929"
                           z3="8.52157"
                           zFract="0.383509"/>
                     <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="4.26674"
                           xFract="0.50553791"
                           y3="2.10862"
                           yFract="0.24983649"
                           z3="6.38973"
                           zFract="0.28756661"/>
                     <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="6.32998"
                           xFract="0.74999763"
                           y3="-0.01873"
                           yFract="-0.00221919"
                           z3="6.20427"
                           zFract="0.27922007"/>
                     <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="4.22097"
                           xFract="0.50011493"
                           y3="-0.03746"
                           yFract="-0.00443839"
                           z3="4.19665"
                           zFract="0.18886814"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24949"
                           xFract="0.50349408"
                           y3="-0.00861"
                           yFract="-0.00102014"
                           z3="8.52274"
                           zFract="0.38356166"/>
                     <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="6.33553"
                           xFract="0.75065521"
                           y3="2.17596"
                           yFract="0.25781517"
                           z3="4.29323"
                           zFract="0.19321467"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34595"
                           xFract="0.75188981"
                           y3="2.17282"
                           yFract="0.25744313"
                           z3="8.42741"
                           zFract="0.37927138"/>
                     <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="-0.02362"
                           xFract="-0.00279858"
                           y3="6.33626"
                           yFract="0.75074171"
                           z3="6.34519"
                           zFract="0.28556211"/>
                     <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="2.11084"
                           xFract="0.25009953"
                           y3="4.25621"
                           yFract="0.50429028"
                           z3="6.35627"
                           zFract="0.28606076"/>
                     <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="0.05185"
                           xFract="0.00614336"
                           y3="4.29211"
                           yFract="0.50854384"
                           z3="4.23642"
                           zFract="0.19065797"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.07308"
                           xFract="-0.00865877"
                           y3="4.23055"
                           yFract="0.50125"
                           z3="8.51123"
                           zFract="0.38304365"/>
                     <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="2.12095"
                           xFract="0.25129739"
                           y3="6.29756"
                           yFract="0.7461564"
                           z3="4.30493"
                           zFract="0.19374122"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.09969"
                           xFract="0.24877844"
                           y3="6.31337"
                           yFract="0.74802962"
                           z3="8.46153"
                           zFract="0.38080693"/>
                     <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="4.24353"
                           xFract="0.50278791"
                           y3="6.3302"
                           yFract="0.7500237"
                           z3="6.32448"
                           zFract="0.28463006"/>
                     <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="6.32512"
                           xFract="0.7494218"
                           y3="4.24768"
                           yFract="0.50327962"
                           z3="6.38268"
                           zFract="0.28724932"/>
                     <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="4.16334"
                           xFract="0.49328673"
                           y3="4.25163"
                           yFract="0.50374763"
                           z3="4.1992"
                           zFract="0.1889829"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.27118"
                           xFract="0.50606398"
                           y3="4.23418"
                           yFract="0.50168009"
                           z3="8.52069"
                           zFract="0.3834694"/>
                     <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="6.3187"
                           xFract="0.74866114"
                           y3="6.26204"
                           yFract="0.74194787"
                           z3="4.25471"
                           zFract="0.1914811"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33835"
                           xFract="0.75098934"
                           y3="6.25791"
                           yFract="0.74145853"
                           z3="8.38808"
                           zFract="0.37750135"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a36" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a31" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.10">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33152"
                           xFract="0.75018009"
                           y3="4.22293"
                           yFract="0.50034716"
                           z3="8.44858"
                           zFract="0.38022412"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3255"
                           xFract="0.74946682"
                           y3="6.33132"
                           yFract="0.7501564"
                           z3="6.3335"
                           zFract="0.285036"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.0074"
                           xFract="-0.00087678"
                           y3="6.32977"
                           yFract="0.74997275"
                           z3="8.38269"
                           zFract="0.37725878"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01237"
                           xFract="-0.00146564"
                           y3="2.1129"
                           yFract="0.2503436"
                           z3="8.43883"
                           zFract="0.37978533"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11429"
                           xFract="0.25050829"
                           y3="4.24544"
                           yFract="0.50301422"
                           z3="4.24334"
                           zFract="0.1909694"/>
                     <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="4.22291"
                           xFract="0.50034479"
                           y3="6.33129"
                           yFract="0.75015284"
                           z3="8.39264"
                           zFract="0.37770657"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.08729"
                           xFract="0.24730924"
                           y3="-0.0088"
                           yFract="-0.00104265"
                           z3="8.45239"
                           zFract="0.38039559"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08531"
                           xFract="0.24707464"
                           y3="4.22732"
                           yFract="0.5008673"
                           z3="8.44762"
                           zFract="0.38018092"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.22509"
                           xFract="0.50060308"
                           y3="6.3266"
                           yFract="0.74959716"
                           z3="4.1808"
                           zFract="0.18815482"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33888"
                           xFract="0.75105213"
                           y3="2.09382"
                           yFract="0.24808294"
                           z3="6.34599"
                           zFract="0.28559811"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.11439"
                           xFract="0.25052014"
                           y3="6.32619"
                           yFract="0.74954858"
                           z3="6.34925"
                           zFract="0.28574482"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00721"
                           xFract="-0.00085427"
                           y3="6.33076"
                           yFract="0.75009005"
                           z3="4.2095"
                           zFract="0.18944644"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.25747"
                           xFract="0.50443957"
                           y3="2.11109"
                           yFract="0.25012915"
                           z3="8.45073"
                           zFract="0.38032088"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.33228"
                           xFract="0.75027014"
                           y3="0.01934"
                           yFract="0.00229147"
                           z3="4.18279"
                           zFract="0.18824437"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01646"
                           xFract="-0.00195024"
                           y3="2.10936"
                           yFract="0.24992417"
                           z3="4.22115"
                           zFract="0.18997075"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2348"
                           xFract="0.50175355"
                           y3="2.10845"
                           yFract="0.24981635"
                           z3="4.22553"
                           zFract="0.19016787"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33491"
                           xFract="0.75058175"
                           y3="-0.00681"
                           yFract="-0.00080687"
                           z3="8.56905"
                           zFract="0.38564581"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.24949"
                           xFract="0.50349408"
                           y3="0.00074"
                           yFract="0.00008768"
                           z3="6.36822"
                           zFract="0.28659856"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01124"
                           xFract="-0.00133175"
                           y3="4.21505"
                           yFract="0.49941351"
                           z3="6.34967"
                           zFract="0.28576373"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10718"
                           xFract="0.24966588"
                           y3="0.00245"
                           yFract="0.00029028"
                           z3="4.21041"
                           zFract="0.1894874"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.32979"
                           xFract="0.74997512"
                           y3="4.20971"
                           yFract="0.49878081"
                           z3="4.20771"
                           zFract="0.18936589"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.22815"
                           xFract="0.50096564"
                           y3="4.2147"
                           yFract="0.49937204"
                           z3="6.35564"
                           zFract="0.2860324"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03082"
                           xFract="-0.00365166"
                           y3="0.00192"
                           yFract="0.00022749"
                           z3="6.37097"
                           zFract="0.28672232"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.11756"
                           xFract="0.25089573"
                           y3="2.11361"
                           yFract="0.25042773"
                           z3="6.35457"
                           zFract="0.28598425"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.02492"
                           xFract="-0.00295261"
                           y3="2.10494"
                           yFract="0.24940047"
                           z3="6.3665"
                           zFract="0.28652115"/>
                     <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="2.10965"
                           xFract="0.24995853"
                           y3="-0.03112"
                           yFract="-0.0036872"
                           z3="6.37367"
                           zFract="0.28684383"/>
                     <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="0.00006"
                           xFract="0.00000711"
                           y3="-0.06925"
                           yFract="-0.00820498"
                           z3="4.20038"
                           zFract="0.189036"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.05672"
                           xFract="-0.00672038"
                           y3="-0.01048"
                           yFract="-0.00124171"
                           z3="8.52369"
                           zFract="0.38360441"/>
                     <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="2.10156"
                           xFract="0.2490"
                           y3="2.15913"
                           yFract="0.25582109"
                           z3="4.25734"
                           zFract="0.19159946"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12296"
                           xFract="0.25153555"
                           y3="2.11892"
                           yFract="0.25105687"
                           z3="8.52335"
                           zFract="0.38358911"/>
                     <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="4.26219"
                           xFract="0.50499882"
                           y3="2.10782"
                           yFract="0.24974171"
                           z3="6.39302"
                           zFract="0.28771467"/>
                     <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="6.33059"
                           xFract="0.75006991"
                           y3="-0.02289"
                           yFract="-0.00271209"
                           z3="6.19134"
                           zFract="0.27863816"/>
                     <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="4.22021"
                           xFract="0.50002488"
                           y3="-0.04534"
                           yFract="-0.00537204"
                           z3="4.19658"
                           zFract="0.18886499"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.26275"
                           xFract="0.50506517"
                           y3="-0.00701"
                           yFract="-0.00083057"
                           z3="8.5292"
                           zFract="0.38385239"/>
                     <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="6.34113"
                           xFract="0.75131872"
                           y3="2.18537"
                           yFract="0.25893009"
                           z3="4.29368"
                           zFract="0.19323492"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34546"
                           xFract="0.75183175"
                           y3="2.18188"
                           yFract="0.25851659"
                           z3="8.43319"
                           zFract="0.3795315"/>
                     <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="-0.01808"
                           xFract="-0.00214218"
                           y3="6.33676"
                           yFract="0.75080095"
                           z3="6.34001"
                           zFract="0.28532898"/>
                     <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="2.11107"
                           xFract="0.25012678"
                           y3="4.2527"
                           yFract="0.50387441"
                           z3="6.37267"
                           zFract="0.28679883"/>
                     <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="0.05705"
                           xFract="0.00675948"
                           y3="4.29058"
                           yFract="0.50836256"
                           z3="4.2397"
                           zFract="0.19080558"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.07876"
                           xFract="-0.00933175"
                           y3="4.23053"
                           yFract="0.50124763"
                           z3="8.51645"
                           zFract="0.38327858"/>
                     <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="2.11744"
                           xFract="0.25088152"
                           y3="6.30553"
                           yFract="0.74710071"
                           z3="4.30451"
                           zFract="0.19372232"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10022"
                           xFract="0.24884123"
                           y3="6.31966"
                           yFract="0.74877488"
                           z3="8.46291"
                           zFract="0.38086904"/>
                     <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="4.24054"
                           xFract="0.50243365"
                           y3="6.33022"
                           yFract="0.75002607"
                           z3="6.33007"
                           zFract="0.28488164"/>
                     <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="6.32565"
                           xFract="0.7494846"
                           y3="4.24444"
                           yFract="0.50289573"
                           z3="6.38033"
                           zFract="0.28714356"/>
                     <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="4.15786"
                           xFract="0.49263744"
                           y3="4.25918"
                           yFract="0.50464218"
                           z3="4.20341"
                           zFract="0.18917237"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.27464"
                           xFract="0.50647393"
                           y3="4.23429"
                           yFract="0.50169313"
                           z3="8.52326"
                           zFract="0.38358506"/>
                     <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="6.32339"
                           xFract="0.74921682"
                           y3="6.2537"
                           yFract="0.74095972"
                           z3="4.25907"
                           zFract="0.19167732"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33493"
                           xFract="0.75058412"
                           y3="6.24828"
                           yFract="0.74031754"
                           z3="8.38329"
                           zFract="0.37728578"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a31" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.11">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.3306"
                           xFract="0.75007109"
                           y3="4.22353"
                           yFract="0.50041825"
                           z3="8.46155"
                           zFract="0.38080783"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.32019"
                           xFract="0.74883768"
                           y3="6.3364"
                           yFract="0.75075829"
                           z3="6.32516"
                           zFract="0.28466067"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.00866"
                           xFract="-0.00102607"
                           y3="6.32713"
                           yFract="0.74965995"
                           z3="8.39001"
                           zFract="0.37758821"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01094"
                           xFract="-0.00129621"
                           y3="2.1172"
                           yFract="0.25085308"
                           z3="8.44157"
                           zFract="0.37990864"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1167"
                           xFract="0.25079384"
                           y3="4.24482"
                           yFract="0.50294076"
                           z3="4.25244"
                           zFract="0.19137894"/>
                     <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="4.22451"
                           xFract="0.50053436"
                           y3="6.32934"
                           yFract="0.7499218"
                           z3="8.39658"
                           zFract="0.37788389"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.08681"
                           xFract="0.24725237"
                           y3="-0.00726"
                           yFract="-0.00086019"
                           z3="8.46448"
                           zFract="0.38093969"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08396"
                           xFract="0.24691469"
                           y3="4.22504"
                           yFract="0.50059716"
                           z3="8.45752"
                           zFract="0.38062646"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.22362"
                           xFract="0.50042891"
                           y3="6.32482"
                           yFract="0.74938626"
                           z3="4.1877"
                           zFract="0.18846535"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.34175"
                           xFract="0.75139218"
                           y3="2.09095"
                           yFract="0.24774289"
                           z3="6.35357"
                           zFract="0.28593924"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1185"
                           xFract="0.25100711"
                           y3="6.32282"
                           yFract="0.74914929"
                           z3="6.35469"
                           zFract="0.28598965"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00683"
                           xFract="-0.00080924"
                           y3="6.33082"
                           yFract="0.75009716"
                           z3="4.21349"
                           zFract="0.18962601"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.25911"
                           xFract="0.50463389"
                           y3="2.11437"
                           yFract="0.25051777"
                           z3="8.46389"
                           zFract="0.38091314"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.33034"
                           xFract="0.75004028"
                           y3="0.01896"
                           yFract="0.00224645"
                           z3="4.17048"
                           zFract="0.18769037"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01132"
                           xFract="-0.00134123"
                           y3="2.10966"
                           yFract="0.24995972"
                           z3="4.2284"
                           zFract="0.19029703"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23112"
                           xFract="0.50131754"
                           y3="2.10837"
                           yFract="0.24980687"
                           z3="4.23264"
                           zFract="0.19048785"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33405"
                           xFract="0.75047986"
                           y3="-0.0099"
                           yFract="-0.00117299"
                           z3="8.58143"
                           zFract="0.38620297"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.25674"
                           xFract="0.50435308"
                           y3="-0.00138"
                           yFract="-0.00016351"
                           z3="6.37079"
                           zFract="0.28671422"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00943"
                           xFract="-0.0011173"
                           y3="4.20993"
                           yFract="0.49880687"
                           z3="6.35306"
                           zFract="0.28591629"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10859"
                           xFract="0.24983294"
                           y3="0.00528"
                           yFract="0.00062559"
                           z3="4.21339"
                           zFract="0.18962151"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.32739"
                           xFract="0.74969076"
                           y3="4.21449"
                           yFract="0.49934716"
                           z3="4.20908"
                           zFract="0.18942754"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.22441"
                           xFract="0.50052251"
                           y3="4.21544"
                           yFract="0.49945972"
                           z3="6.35664"
                           zFract="0.28607741"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03875"
                           xFract="-0.00459123"
                           y3="0.00625"
                           yFract="0.00074052"
                           z3="6.37367"
                           zFract="0.28684383"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.11857"
                           xFract="0.2510154"
                           y3="2.11645"
                           yFract="0.25076422"
                           z3="6.36205"
                           zFract="0.28632088"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.02148"
                           xFract="-0.00254502"
                           y3="2.10417"
                           yFract="0.24930924"
                           z3="6.3677"
                           zFract="0.28657516"/>
                     <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="2.10959"
                           xFract="0.24995142"
                           y3="-0.0275"
                           yFract="-0.00325829"
                           z3="6.38434"
                           zFract="0.28732403"/>
                     <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="0.00066"
                           xFract="0.0000782"
                           y3="-0.06883"
                           yFract="-0.00815521"
                           z3="4.20097"
                           zFract="0.18906256"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.06788"
                           xFract="-0.00804265"
                           y3="-0.01106"
                           yFract="-0.00131043"
                           z3="8.53321"
                           zFract="0.38403285"/>
                     <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="2.09664"
                           xFract="0.24841706"
                           y3="2.15872"
                           yFract="0.25577251"
                           z3="4.25842"
                           zFract="0.19164806"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12447"
                           xFract="0.25171445"
                           y3="2.11502"
                           yFract="0.25059479"
                           z3="8.52475"
                           zFract="0.38365212"/>
                     <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="4.25865"
                           xFract="0.50457938"
                           y3="2.1072"
                           yFract="0.24966825"
                           z3="6.39559"
                           zFract="0.28783033"/>
                     <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="6.33107"
                           xFract="0.75012678"
                           y3="-0.02613"
                           yFract="-0.00309597"
                           z3="6.18126"
                           zFract="0.27818452"/>
                     <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="4.21962"
                           xFract="0.49995498"
                           y3="-0.05148"
                           yFract="-0.00609953"
                           z3="4.19653"
                           zFract="0.18886274"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27309"
                           xFract="0.50629028"
                           y3="-0.00575"
                           yFract="-0.00068128"
                           z3="8.53423"
                           zFract="0.38407876"/>
                     <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="6.34549"
                           xFract="0.75183531"
                           y3="2.1927"
                           yFract="0.25979858"
                           z3="4.29403"
                           zFract="0.19325068"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34507"
                           xFract="0.75178555"
                           y3="2.18894"
                           yFract="0.25935308"
                           z3="8.43769"
                           zFract="0.37973402"/>
                     <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="-0.01376"
                           xFract="-0.00163033"
                           y3="6.33716"
                           yFract="0.75084834"
                           z3="6.33598"
                           zFract="0.28514761"/>
                     <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="2.11126"
                           xFract="0.25014929"
                           y3="4.24996"
                           yFract="0.50354976"
                           z3="6.38544"
                           zFract="0.28737354"/>
                     <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="0.0611"
                           xFract="0.00723934"
                           y3="4.2894"
                           yFract="0.50822275"
                           z3="4.24225"
                           zFract="0.19092034"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.08319"
                           xFract="-0.00985664"
                           y3="4.23051"
                           yFract="0.50124526"
                           z3="8.52052"
                           zFract="0.38346175"/>
                     <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="2.11471"
                           xFract="0.25055806"
                           y3="6.31174"
                           yFract="0.74783649"
                           z3="4.30419"
                           zFract="0.19370792"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10064"
                           xFract="0.248891"
                           y3="6.32455"
                           yFract="0.74935427"
                           z3="8.4640"
                           zFract="0.38091809"/>
                     <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="4.23821"
                           xFract="0.50215758"
                           y3="6.33024"
                           yFract="0.75002844"
                           z3="6.33442"
                           zFract="0.28507741"/>
                     <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="6.32606"
                           xFract="0.74953318"
                           y3="4.24192"
                           yFract="0.50259716"
                           z3="6.37851"
                           zFract="0.28706166"/>
                     <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="4.15359"
                           xFract="0.49213152"
                           y3="4.26506"
                           yFract="0.50533886"
                           z3="4.20669"
                           zFract="0.18931998"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.27734"
                           xFract="0.50679384"
                           y3="4.23438"
                           yFract="0.50170379"
                           z3="8.52526"
                           zFract="0.38367507"/>
                     <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="6.32704"
                           xFract="0.74964929"
                           y3="6.24721"
                           yFract="0.74019076"
                           z3="4.26246"
                           zFract="0.19182988"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33226"
                           xFract="0.75026777"
                           y3="6.24078"
                           yFract="0.73942891"
                           z3="8.37956"
                           zFract="0.37711791"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a31" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.12">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.32931"
                           xFract="0.74991825"
                           y3="4.22617"
                           yFract="0.50073104"
                           z3="8.46286"
                           zFract="0.38086679"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.32518"
                           xFract="0.74942891"
                           y3="6.33204"
                           yFract="0.75024171"
                           z3="6.32692"
                           zFract="0.28473987"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.01435"
                           xFract="-0.00170024"
                           y3="6.32686"
                           yFract="0.74962796"
                           z3="8.39416"
                           zFract="0.37777498"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01124"
                           xFract="-0.00133175"
                           y3="2.11931"
                           yFract="0.25110308"
                           z3="8.44978"
                           zFract="0.38027813"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11455"
                           xFract="0.2505391"
                           y3="4.24651"
                           yFract="0.503141"
                           z3="4.25941"
                           zFract="0.19169262"/>
                     <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="4.23018"
                           xFract="0.50120616"
                           y3="6.32897"
                           yFract="0.74987796"
                           z3="8.40989"
                           zFract="0.3784829"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.08483"
                           xFract="0.24701777"
                           y3="-0.00656"
                           yFract="-0.00077725"
                           z3="8.47441"
                           zFract="0.38138659"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08288"
                           xFract="0.24678673"
                           y3="4.22563"
                           yFract="0.50066706"
                           z3="8.47416"
                           zFract="0.38137534"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.22093"
                           xFract="0.50011019"
                           y3="6.32589"
                           yFract="0.74951303"
                           z3="4.19281"
                           zFract="0.18869532"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.34032"
                           xFract="0.75122275"
                           y3="2.0902"
                           yFract="0.24765403"
                           z3="6.35803"
                           zFract="0.28613996"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1162"
                           xFract="0.2507346"
                           y3="6.32982"
                           yFract="0.74997867"
                           z3="6.36419"
                           zFract="0.28641719"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.0028"
                           xFract="-0.00033175"
                           y3="6.33155"
                           yFract="0.75018365"
                           z3="4.22031"
                           zFract="0.18993294"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.26341"
                           xFract="0.50514336"
                           y3="2.1162"
                           yFract="0.2507346"
                           z3="8.47356"
                           zFract="0.38134833"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32848"
                           xFract="0.74981991"
                           y3="0.02183"
                           yFract="0.00258649"
                           z3="4.15886"
                           zFract="0.18716742"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00677"
                           xFract="-0.00080213"
                           y3="2.11136"
                           yFract="0.25016114"
                           z3="4.23669"
                           zFract="0.19067012"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2294"
                           xFract="0.50111374"
                           y3="2.10818"
                           yFract="0.24978436"
                           z3="4.24177"
                           zFract="0.19089874"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33222"
                           xFract="0.75026303"
                           y3="-0.01525"
                           yFract="-0.00180687"
                           z3="8.59947"
                           zFract="0.38701485"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.25935"
                           xFract="0.50466232"
                           y3="0.00255"
                           yFract="0.00030213"
                           z3="6.3778"
                           zFract="0.2870297"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01175"
                           xFract="-0.00139218"
                           y3="4.21001"
                           yFract="0.49881635"
                           z3="6.35818"
                           zFract="0.28614671"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10936"
                           xFract="0.24992417"
                           y3="0.00933"
                           yFract="0.00110545"
                           z3="4.22588"
                           zFract="0.19018362"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.32524"
                           xFract="0.74943602"
                           y3="4.21255"
                           yFract="0.4991173"
                           z3="4.21306"
                           zFract="0.18960666"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.22616"
                           xFract="0.50072986"
                           y3="4.20936"
                           yFract="0.49873934"
                           z3="6.36128"
                           zFract="0.28628623"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04068"
                           xFract="-0.00481991"
                           y3="0.00481"
                           yFract="0.00056991"
                           z3="6.38089"
                           zFract="0.28716877"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.12385"
                           xFract="0.251641"
                           y3="2.11011"
                           yFract="0.25001303"
                           z3="6.37401"
                           zFract="0.28685914"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.02062"
                           xFract="-0.00244313"
                           y3="2.10312"
                           yFract="0.24918483"
                           z3="6.37592"
                           zFract="0.28694509"/>
                     <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="2.10957"
                           xFract="0.24994905"
                           y3="-0.02527"
                           yFract="-0.00299408"
                           z3="6.40276"
                           zFract="0.28815302"/>
                     <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="-0.00229"
                           xFract="-0.00027133"
                           y3="-0.06007"
                           yFract="-0.0071173"
                           z3="4.1994"
                           zFract="0.1889919"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.07874"
                           xFract="-0.00932938"
                           y3="-0.01144"
                           yFract="-0.00135545"
                           z3="8.54626"
                           zFract="0.38462016"/>
                     <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="2.09278"
                           xFract="0.24795972"
                           y3="2.15519"
                           yFract="0.25535427"
                           z3="4.25734"
                           zFract="0.19159946"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12798"
                           xFract="0.25213033"
                           y3="2.11194"
                           yFract="0.25022986"
                           z3="8.54086"
                           zFract="0.38437714"/>
                     <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="4.25835"
                           xFract="0.50454384"
                           y3="2.10656"
                           yFract="0.24959242"
                           z3="6.40216"
                           zFract="0.28812601"/>
                     <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="6.32994"
                           xFract="0.74999289"
                           y3="-0.02584"
                           yFract="-0.00306161"
                           z3="6.16572"
                           zFract="0.27748515"/>
                     <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="4.22242"
                           xFract="0.50028673"
                           y3="-0.04972"
                           yFract="-0.005891"
                           z3="4.19776"
                           zFract="0.18891809"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.28476"
                           xFract="0.50767299"
                           y3="-0.00308"
                           yFract="-0.00036493"
                           z3="8.54314"
                           zFract="0.38447975"/>
                     <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="6.34988"
                           xFract="0.75235545"
                           y3="2.20168"
                           yFract="0.26086256"
                           z3="4.29397"
                           zFract="0.19324797"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34316"
                           xFract="0.75155924"
                           y3="2.19881"
                           yFract="0.26052251"
                           z3="8.45367"
                           zFract="0.3804532"/>
                     <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="-0.00886"
                           xFract="-0.00104976"
                           y3="6.33599"
                           yFract="0.75070972"
                           z3="6.34277"
                           zFract="0.2854532"/>
                     <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="2.11055"
                           xFract="0.25006517"
                           y3="4.25069"
                           yFract="0.50363626"
                           z3="6.40486"
                           zFract="0.28824752"/>
                     <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="0.06939"
                           xFract="0.00822156"
                           y3="4.28138"
                           yFract="0.50727251"
                           z3="4.24481"
                           zFract="0.19103555"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.08015"
                           xFract="-0.00949645"
                           y3="4.23011"
                           yFract="0.50119787"
                           z3="8.52939"
                           zFract="0.38386094"/>
                     <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="2.11164"
                           xFract="0.25019431"
                           y3="6.31612"
                           yFract="0.74835545"
                           z3="4.30436"
                           zFract="0.19371557"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10168"
                           xFract="0.24901422"
                           y3="6.32901"
                           yFract="0.7498827"
                           z3="8.47413"
                           zFract="0.38137399"/>
                     <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="4.23068"
                           xFract="0.5012654"
                           y3="6.32873"
                           yFract="0.74984953"
                           z3="6.34257"
                           zFract="0.28544419"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.32526"
                           xFract="0.74943839"
                           y3="4.23948"
                           yFract="0.50230806"
                           z3="6.38406"
                           zFract="0.28731143"/>
                     <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="4.14831"
                           xFract="0.49150592"
                           y3="4.26367"
                           yFract="0.50517417"
                           z3="4.21574"
                           zFract="0.18972727"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.27262"
                           xFract="0.5062346"
                           y3="4.23134"
                           yFract="0.5013436"
                           z3="8.5322"
                           zFract="0.3839874"/>
                     <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="6.32899"
                           xFract="0.74988033"
                           y3="6.24557"
                           yFract="0.73999645"
                           z3="4.26066"
                           zFract="0.19174887"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32846"
                           xFract="0.74981754"
                           y3="6.23316"
                           yFract="0.73852607"
                           z3="8.37668"
                           zFract="0.3769883"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a31" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.13">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.32857"
                           xFract="0.74983057"
                           y3="4.22767"
                           yFract="0.50090877"
                           z3="8.4636"
                           zFract="0.38090009"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.32802"
                           xFract="0.7497654"
                           y3="6.32957"
                           yFract="0.74994905"
                           z3="6.32792"
                           zFract="0.28478488"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.01758"
                           xFract="-0.00208294"
                           y3="6.32671"
                           yFract="0.74961019"
                           z3="8.39651"
                           zFract="0.37788074"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01141"
                           xFract="-0.0013519"
                           y3="2.12051"
                           yFract="0.25124526"
                           z3="8.45445"
                           zFract="0.3804883"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11334"
                           xFract="0.25039573"
                           y3="4.24748"
                           yFract="0.50325592"
                           z3="4.26337"
                           zFract="0.19187084"/>
                     <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="4.23339"
                           xFract="0.50158649"
                           y3="6.32875"
                           yFract="0.7498519"
                           z3="8.41744"
                           zFract="0.37882268"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.08371"
                           xFract="0.24688507"
                           y3="-0.00617"
                           yFract="-0.00073104"
                           z3="8.48004"
                           zFract="0.38163996"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08227"
                           xFract="0.24671445"
                           y3="4.22597"
                           yFract="0.50070735"
                           z3="8.48361"
                           zFract="0.38180063"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2194"
                           xFract="0.49992891"
                           y3="6.3265"
                           yFract="0.74958531"
                           z3="4.19571"
                           zFract="0.18882583"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.3395"
                           xFract="0.75112559"
                           y3="2.08977"
                           yFract="0.24760308"
                           z3="6.36056"
                           zFract="0.28625383"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1149"
                           xFract="0.25058057"
                           y3="6.33379"
                           yFract="0.75044905"
                           z3="6.36958"
                           zFract="0.28665977"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00052"
                           xFract="-0.00006161"
                           y3="6.33196"
                           yFract="0.75023223"
                           z3="4.22418"
                           zFract="0.19010711"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.26585"
                           xFract="0.50543246"
                           y3="2.11723"
                           yFract="0.25085664"
                           z3="8.47904"
                           zFract="0.38159496"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32742"
                           xFract="0.74969431"
                           y3="0.02346"
                           yFract="0.00277962"
                           z3="4.15226"
                           zFract="0.18687039"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00419"
                           xFract="-0.00049645"
                           y3="2.11232"
                           yFract="0.25027488"
                           z3="4.2414"
                           zFract="0.19088209"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22842"
                           xFract="0.50099763"
                           y3="2.10807"
                           yFract="0.24977133"
                           z3="4.24695"
                           zFract="0.19113186"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33118"
                           xFract="0.75013981"
                           y3="-0.01829"
                           yFract="-0.00216706"
                           z3="8.60971"
                           zFract="0.3874757"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.26082"
                           xFract="0.50483649"
                           y3="0.00479"
                           yFract="0.00056754"
                           z3="6.38177"
                           zFract="0.28720837"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01306"
                           xFract="-0.00154739"
                           y3="4.21006"
                           yFract="0.49882227"
                           z3="6.36108"
                           zFract="0.28627723"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1098"
                           xFract="0.2499763"
                           y3="0.01162"
                           yFract="0.00137678"
                           z3="4.23297"
                           zFract="0.1905027"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.32402"
                           xFract="0.74929147"
                           y3="4.21145"
                           yFract="0.49898697"
                           z3="4.21532"
                           zFract="0.18970837"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.22715"
                           xFract="0.50084716"
                           y3="4.20592"
                           yFract="0.49833175"
                           z3="6.36391"
                           zFract="0.28640459"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04177"
                           xFract="-0.00494905"
                           y3="0.00399"
                           yFract="0.00047275"
                           z3="6.38498"
                           zFract="0.28735284"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.12685"
                           xFract="0.25199645"
                           y3="2.10652"
                           yFract="0.24958768"
                           z3="6.3808"
                           zFract="0.28716472"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.02013"
                           xFract="-0.00238507"
                           y3="2.10253"
                           yFract="0.24911493"
                           z3="6.38058"
                           zFract="0.28715482"/>
                     <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="2.10956"
                           xFract="0.24994787"
                           y3="-0.02401"
                           yFract="-0.00284479"
                           z3="6.41322"
                           zFract="0.28862376"/>
                     <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="-0.00396"
                           xFract="-0.00046919"
                           y3="-0.05509"
                           yFract="-0.00652725"
                           z3="4.19851"
                           zFract="0.18895185"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.08491"
                           xFract="-0.01006043"
                           y3="-0.01166"
                           yFract="-0.00138152"
                           z3="8.55367"
                           zFract="0.38495365"/>
                     <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="2.09058"
                           xFract="0.24769905"
                           y3="2.15319"
                           yFract="0.2551173"
                           z3="4.25673"
                           zFract="0.19157201"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12997"
                           xFract="0.25236611"
                           y3="2.1102"
                           yFract="0.2500237"
                           z3="8.5500"
                           zFract="0.38478848"/>
                     <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="4.25818"
                           xFract="0.5045237"
                           y3="2.1062"
                           yFract="0.24954976"
                           z3="6.40589"
                           zFract="0.28829388"/>
                     <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="6.32929"
                           xFract="0.74991588"
                           y3="-0.02567"
                           yFract="-0.00304147"
                           z3="6.1569"
                           zFract="0.27708821"/>
                     <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="4.2240"
                           xFract="0.50047393"
                           y3="-0.04872"
                           yFract="-0.00577251"
                           z3="4.19846"
                           zFract="0.18894959"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29138"
                           xFract="0.50845735"
                           y3="-0.00156"
                           yFract="-0.00018483"
                           z3="8.5482"
                           zFract="0.38470747"/>
                     <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="6.35237"
                           xFract="0.75265047"
                           y3="2.20677"
                           yFract="0.26146564"
                           z3="4.29393"
                           zFract="0.19324617"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34207"
                           xFract="0.75143009"
                           y3="2.20441"
                           yFract="0.26118602"
                           z3="8.46275"
                           zFract="0.38086184"/>
                     <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="-0.00607"
                           xFract="-0.00071919"
                           y3="6.33533"
                           yFract="0.75063152"
                           z3="6.34663"
                           zFract="0.28562691"/>
                     <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="2.11015"
                           xFract="0.25001777"
                           y3="4.2511"
                           yFract="0.50368483"
                           z3="6.41589"
                           zFract="0.28874392"/>
                     <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="0.0741"
                           xFract="0.00877962"
                           y3="4.27683"
                           yFract="0.50673341"
                           z3="4.24626"
                           zFract="0.19110081"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.07843"
                           xFract="-0.00929265"
                           y3="4.22988"
                           yFract="0.50117062"
                           z3="8.53442"
                           zFract="0.38408731"/>
                     <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="2.10989"
                           xFract="0.24998697"
                           y3="6.31861"
                           yFract="0.74865047"
                           z3="4.30446"
                           zFract="0.19372007"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10228"
                           xFract="0.24908531"
                           y3="6.33154"
                           yFract="0.75018246"
                           z3="8.47988"
                           zFract="0.38163276"/>
                     <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="4.22641"
                           xFract="0.50075948"
                           y3="6.32787"
                           yFract="0.74974763"
                           z3="6.3472"
                           zFract="0.28565257"/>
                     <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="6.32481"
                           xFract="0.74938507"
                           y3="4.23809"
                           yFract="0.50214336"
                           z3="6.38721"
                           zFract="0.2874532"/>
                     <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="4.14531"
                           xFract="0.49115047"
                           y3="4.26288"
                           yFract="0.50508057"
                           z3="4.22087"
                           zFract="0.18995815"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26994"
                           xFract="0.50591706"
                           y3="4.22962"
                           yFract="0.50113981"
                           z3="8.53614"
                           zFract="0.38416472"/>
                     <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="6.3301"
                           xFract="0.75001185"
                           y3="6.24464"
                           yFract="0.73988626"
                           z3="4.25963"
                           zFract="0.19170252"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3263"
                           xFract="0.74956161"
                           y3="6.22884"
                           yFract="0.73801422"
                           z3="8.37505"
                           zFract="0.37691494"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a31" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.14">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.32774"
                           xFract="0.74973223"
                           y3="4.22357"
                           yFract="0.50042299"
                           z3="8.45964"
                           zFract="0.38072187"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.32722"
                           xFract="0.74967062"
                           y3="6.3272"
                           yFract="0.74966825"
                           z3="6.33341"
                           zFract="0.28503195"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.01645"
                           xFract="-0.00194905"
                           y3="6.33009"
                           yFract="0.75001066"
                           z3="8.40078"
                           zFract="0.37807291"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01509"
                           xFract="-0.00178791"
                           y3="2.11723"
                           yFract="0.25085664"
                           z3="8.46371"
                           zFract="0.38090504"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11309"
                           xFract="0.25036611"
                           y3="4.24828"
                           yFract="0.50335071"
                           z3="4.26596"
                           zFract="0.1919874"/>
                     <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="4.2326"
                           xFract="0.50149289"
                           y3="6.33044"
                           yFract="0.75005213"
                           z3="8.42401"
                           zFract="0.37911836"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.08228"
                           xFract="0.24671564"
                           y3="-0.00772"
                           yFract="-0.00091469"
                           z3="8.48957"
                           zFract="0.38206886"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08406"
                           xFract="0.24692654"
                           y3="4.23092"
                           yFract="0.50129384"
                           z3="8.49133"
                           zFract="0.38214806"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21976"
                           xFract="0.49997156"
                           y3="6.32788"
                           yFract="0.74974882"
                           z3="4.19566"
                           zFract="0.18882358"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33934"
                           xFract="0.75110664"
                           y3="2.08841"
                           yFract="0.24744194"
                           z3="6.36089"
                           zFract="0.28626868"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.11456"
                           xFract="0.25054028"
                           y3="6.33392"
                           yFract="0.75046445"
                           z3="6.37893"
                           zFract="0.28708056"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00005"
                           xFract="-0.00000592"
                           y3="6.33325"
                           yFract="0.75038507"
                           z3="4.22266"
                           zFract="0.1900387"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.26707"
                           xFract="0.50557701"
                           y3="2.11572"
                           yFract="0.25067773"
                           z3="8.48267"
                           zFract="0.38175833"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32801"
                           xFract="0.74976422"
                           y3="0.02703"
                           yFract="0.00320261"
                           z3="4.15817"
                           zFract="0.18713636"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00781"
                           xFract="-0.00092536"
                           y3="2.11429"
                           yFract="0.25050829"
                           z3="4.24082"
                           zFract="0.19085599"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23155"
                           xFract="0.50136848"
                           y3="2.10952"
                           yFract="0.24994313"
                           z3="4.24336"
                           zFract="0.1909703"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33062"
                           xFract="0.75007346"
                           y3="-0.01782"
                           yFract="-0.00211137"
                           z3="8.62055"
                           zFract="0.38796355"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.26269"
                           xFract="0.50505806"
                           y3="0.00108"
                           yFract="0.00012796"
                           z3="6.39126"
                           zFract="0.28763546"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00912"
                           xFract="-0.00108057"
                           y3="4.21118"
                           yFract="0.49895498"
                           z3="6.36738"
                           zFract="0.28656076"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10911"
                           xFract="0.24989455"
                           y3="0.01308"
                           yFract="0.00154976"
                           z3="4.23747"
                           zFract="0.19070522"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.32352"
                           xFract="0.74923223"
                           y3="4.21216"
                           yFract="0.49907109"
                           z3="4.21438"
                           zFract="0.18966607"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.22352"
                           xFract="0.50041706"
                           y3="4.20826"
                           yFract="0.498609"
                           z3="6.37321"
                           zFract="0.28682313"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04364"
                           xFract="-0.00517062"
                           y3="0.00119"
                           yFract="0.000141"
                           z3="6.39344"
                           zFract="0.28773357"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.12668"
                           xFract="0.2519763"
                           y3="2.10764"
                           yFract="0.24972038"
                           z3="6.38907"
                           zFract="0.2875369"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.02261"
                           xFract="-0.00267891"
                           y3="2.10059"
                           yFract="0.24888507"
                           z3="6.39564"
                           zFract="0.28783258"/>
                     <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="2.10814"
                           xFract="0.24977962"
                           y3="-0.02384"
                           yFract="-0.00282464"
                           z3="6.41829"
                           zFract="0.28885194"/>
                     <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="-0.00508"
                           xFract="-0.0006019"
                           y3="-0.04945"
                           yFract="-0.005859"
                           z3="4.19974"
                           zFract="0.1890072"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.0862"
                           xFract="-0.01021327"
                           y3="-0.01256"
                           yFract="-0.00148815"
                           z3="8.55853"
                           zFract="0.38517237"/>
                     <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="2.09477"
                           xFract="0.2481955"
                           y3="2.14892"
                           yFract="0.25461137"
                           z3="4.26535"
                           zFract="0.19195995"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13097"
                           xFract="0.2524846"
                           y3="2.10902"
                           yFract="0.24988389"
                           z3="8.56952"
                           zFract="0.38566697"/>
                     <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="4.26299"
                           xFract="0.5050936"
                           y3="2.10352"
                           yFract="0.24923223"
                           z3="6.41628"
                           zFract="0.28876148"/>
                     <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="6.33067"
                           xFract="0.75007938"
                           y3="-0.02384"
                           yFract="-0.00282464"
                           z3="6.15132"
                           zFract="0.27683708"/>
                     <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="4.22344"
                           xFract="0.50040758"
                           y3="-0.04023"
                           yFract="-0.00476659"
                           z3="4.20153"
                           zFract="0.18908776"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29258"
                           xFract="0.50859953"
                           y3="-0.00225"
                           yFract="-0.00026659"
                           z3="8.55527"
                           zFract="0.38502565"/>
                     <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="6.35224"
                           xFract="0.75263507"
                           y3="2.20728"
                           yFract="0.26152607"
                           z3="4.29909"
                           zFract="0.1934784"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34427"
                           xFract="0.75169076"
                           y3="2.20876"
                           yFract="0.26170142"
                           z3="8.47041"
                           zFract="0.38120657"/>
                     <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="-0.00803"
                           xFract="-0.00095142"
                           y3="6.33691"
                           yFract="0.75081872"
                           z3="6.35476"
                           zFract="0.2859928"/>
                     <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="2.10683"
                           xFract="0.24962441"
                           y3="4.25058"
                           yFract="0.50362322"
                           z3="6.41768"
                           zFract="0.28882448"/>
                     <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="0.07532"
                           xFract="0.00892417"
                           y3="4.27489"
                           yFract="0.50650355"
                           z3="4.24992"
                           zFract="0.19126553"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.07449"
                           xFract="-0.00882583"
                           y3="4.23142"
                           yFract="0.50135308"
                           z3="8.54222"
                           zFract="0.38443834"/>
                     <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="2.10983"
                           xFract="0.24997986"
                           y3="6.32088"
                           yFract="0.74891943"
                           z3="4.3146"
                           zFract="0.19417642"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10083"
                           xFract="0.24891351"
                           y3="6.33345"
                           yFract="0.75040877"
                           z3="8.49589"
                           zFract="0.38235329"/>
                     <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="4.22769"
                           xFract="0.50091114"
                           y3="6.33014"
                           yFract="0.75001659"
                           z3="6.35354"
                           zFract="0.28593789"/>
                     <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="6.32702"
                           xFract="0.74964692"
                           y3="4.23785"
                           yFract="0.50211493"
                           z3="6.39564"
                           zFract="0.28783258"/>
                     <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="4.14365"
                           xFract="0.49095379"
                           y3="4.25673"
                           yFract="0.5043519"
                           z3="4.22585"
                           zFract="0.19018227"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26615"
                           xFract="0.50546801"
                           y3="4.22985"
                           yFract="0.50116706"
                           z3="8.5450"
                           zFract="0.38456346"/>
                     <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="6.32991"
                           xFract="0.74998934"
                           y3="6.24075"
                           yFract="0.73942536"
                           z3="4.25792"
                           zFract="0.19162556"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32678"
                           xFract="0.74961848"
                           y3="6.22812"
                           yFract="0.73792891"
                           z3="8.37831"
                           zFract="0.37706166"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a80" order="S"/>
                     <bond atomRefs2="a10 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a31" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.15">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.32619"
                           xFract="0.74954858"
                           y3="4.21591"
                           yFract="0.4995154"
                           z3="8.45221"
                           zFract="0.38038749"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.32573"
                           xFract="0.74949408"
                           y3="6.32278"
                           yFract="0.74914455"
                           z3="6.34369"
                           zFract="0.2854946"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.01433"
                           xFract="-0.00169787"
                           y3="6.33642"
                           yFract="0.75076066"
                           z3="8.40877"
                           zFract="0.37843249"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.02199"
                           xFract="-0.00260545"
                           y3="2.11109"
                           yFract="0.25012915"
                           z3="8.48107"
                           zFract="0.38168632"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11263"
                           xFract="0.25031161"
                           y3="4.24979"
                           yFract="0.50352962"
                           z3="4.27082"
                           zFract="0.19220612"/>
                     <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="4.23113"
                           xFract="0.50131872"
                           y3="6.33359"
                           yFract="0.75042536"
                           z3="8.43631"
                           zFract="0.37967192"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.07959"
                           xFract="0.24639692"
                           y3="-0.01061"
                           yFract="-0.00125711"
                           z3="8.5074"
                           zFract="0.38287129"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08741"
                           xFract="0.24732346"
                           y3="4.24019"
                           yFract="0.50239218"
                           z3="8.50578"
                           zFract="0.38279838"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.22043"
                           xFract="0.50005095"
                           y3="6.33044"
                           yFract="0.75005213"
                           z3="4.19556"
                           zFract="0.18881908"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33904"
                           xFract="0.75107109"
                           y3="2.08585"
                           yFract="0.24713863"
                           z3="6.36151"
                           zFract="0.28629658"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.11392"
                           xFract="0.25046445"
                           y3="6.33416"
                           yFract="0.75049289"
                           z3="6.39644"
                           zFract="0.28786859"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00081"
                           xFract="0.00009597"
                           y3="6.33568"
                           yFract="0.75067299"
                           z3="4.21981"
                           zFract="0.18991044"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.26936"
                           xFract="0.50584834"
                           y3="2.11287"
                           yFract="0.25034005"
                           z3="8.48945"
                           zFract="0.38206346"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32913"
                           xFract="0.74989692"
                           y3="0.03373"
                           yFract="0.00399645"
                           z3="4.16923"
                           zFract="0.18763411"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01459"
                           xFract="-0.00172867"
                           y3="2.11798"
                           yFract="0.2509455"
                           z3="4.23974"
                           zFract="0.19080738"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23741"
                           xFract="0.5020628"
                           y3="2.11224"
                           yFract="0.2502654"
                           z3="4.23663"
                           zFract="0.19066742"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32958"
                           xFract="0.74995024"
                           y3="-0.01693"
                           yFract="-0.00200592"
                           z3="8.64085"
                           zFract="0.38887714"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.26619"
                           xFract="0.50547275"
                           y3="-0.00584"
                           yFract="-0.00069194"
                           z3="6.40903"
                           zFract="0.28843519"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00174"
                           xFract="-0.00020616"
                           y3="4.21327"
                           yFract="0.49920261"
                           z3="6.37917"
                           zFract="0.28709136"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10782"
                           xFract="0.24974171"
                           y3="0.01582"
                           yFract="0.00187441"
                           z3="4.24591"
                           zFract="0.19108506"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.32259"
                           xFract="0.74912204"
                           y3="4.21349"
                           yFract="0.49922867"
                           z3="4.21261"
                           zFract="0.18958641"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2167"
                           xFract="0.499609"
                           y3="4.21265"
                           yFract="0.49912915"
                           z3="6.39063"
                           zFract="0.28760711"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04713"
                           xFract="-0.00558412"
                           y3="-0.00406"
                           yFract="-0.00048104"
                           z3="6.40928"
                           zFract="0.28844644"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.12638"
                           xFract="0.25194076"
                           y3="2.10976"
                           yFract="0.24997156"
                           z3="6.40455"
                           zFract="0.28823357"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.02727"
                           xFract="-0.00323104"
                           y3="2.09697"
                           yFract="0.24845616"
                           z3="6.42384"
                           zFract="0.28910171"/>
                     <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="2.10548"
                           xFract="0.24946445"
                           y3="-0.02352"
                           yFract="-0.00278673"
                           z3="6.42777"
                           zFract="0.28927858"/>
                     <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="-0.00719"
                           xFract="-0.0008519"
                           y3="-0.03889"
                           yFract="-0.00460782"
                           z3="4.20204"
                           zFract="0.18911071"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.08863"
                           xFract="-0.01050118"
                           y3="-0.01425"
                           yFract="-0.00168839"
                           z3="8.56763"
                           zFract="0.38558191"/>
                     <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="2.10261"
                           xFract="0.24912441"
                           y3="2.14093"
                           yFract="0.25366469"
                           z3="4.28147"
                           zFract="0.19268542"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13285"
                           xFract="0.25270735"
                           y3="2.10682"
                           yFract="0.24962322"
                           z3="8.60605"
                           zFract="0.38731098"/>
                     <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="4.2720"
                           xFract="0.50616114"
                           y3="2.09849"
                           yFract="0.24863626"
                           z3="6.43572"
                           zFract="0.28963636"/>
                     <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="6.33325"
                           xFract="0.75038507"
                           y3="-0.02041"
                           yFract="-0.00241825"
                           z3="6.14087"
                           zFract="0.27636679"/>
                     <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="4.22238"
                           xFract="0.50028199"
                           y3="-0.02433"
                           yFract="-0.0028827"
                           z3="4.20729"
                           zFract="0.18934698"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29482"
                           xFract="0.50886493"
                           y3="-0.00353"
                           yFract="-0.00041825"
                           z3="8.56852"
                           zFract="0.38562196"/>
                     <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="6.35202"
                           xFract="0.752609"
                           y3="2.20824"
                           yFract="0.26163981"
                           z3="4.30873"
                           zFract="0.19391224"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34839"
                           xFract="0.75217891"
                           y3="2.21691"
                           yFract="0.26266706"
                           z3="8.48477"
                           zFract="0.38185284"/>
                     <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="-0.01169"
                           xFract="-0.00138507"
                           y3="6.33987"
                           yFract="0.75116943"
                           z3="6.36997"
                           zFract="0.28667732"/>
                     <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="2.10062"
                           xFract="0.24888863"
                           y3="4.24959"
                           yFract="0.50350592"
                           z3="6.42103"
                           zFract="0.28897525"/>
                     <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="0.0776"
                           xFract="0.00919431"
                           y3="4.27124"
                           yFract="0.50607109"
                           z3="4.25679"
                           zFract="0.19157471"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.06712"
                           xFract="-0.00795261"
                           y3="4.2343"
                           yFract="0.50169431"
                           z3="8.5568"
                           zFract="0.38509451"/>
                     <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="2.1097"
                           xFract="0.24996445"
                           y3="6.32512"
                           yFract="0.7494218"
                           z3="4.33357"
                           zFract="0.19503015"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.09812"
                           xFract="0.24859242"
                           y3="6.33702"
                           yFract="0.75083175"
                           z3="8.52586"
                           zFract="0.38370207"/>
                     <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="4.23007"
                           xFract="0.50119313"
                           y3="6.3344"
                           yFract="0.75052133"
                           z3="6.3654"
                           zFract="0.28647165"/>
                     <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="6.33117"
                           xFract="0.75013863"
                           y3="4.2374"
                           yFract="0.50206161"
                           z3="6.41142"
                           zFract="0.28854275"/>
                     <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="4.14054"
                           xFract="0.49058531"
                           y3="4.24522"
                           yFract="0.50298815"
                           z3="4.23517"
                           zFract="0.19060171"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.25904"
                           xFract="0.50462559"
                           y3="4.23028"
                           yFract="0.50121801"
                           z3="8.56158"
                           zFract="0.38530963"/>
                     <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="6.32956"
                           xFract="0.74994787"
                           y3="6.23345"
                           yFract="0.73856043"
                           z3="4.25471"
                           zFract="0.1914811"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32766"
                           xFract="0.74972275"
                           y3="6.22677"
                           yFract="0.73776896"
                           z3="8.3844"
                           zFract="0.37733573"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a31" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.16">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.32703"
                           xFract="0.7496481"
                           y3="4.22004"
                           yFract="0.50000474"
                           z3="8.45622"
                           zFract="0.38056796"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.32654"
                           xFract="0.74959005"
                           y3="6.32517"
                           yFract="0.74942773"
                           z3="6.33814"
                           zFract="0.28524482"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.01547"
                           xFract="-0.00183294"
                           y3="6.33301"
                           yFract="0.75035664"
                           z3="8.40446"
                           zFract="0.37823852"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01827"
                           xFract="-0.00216469"
                           y3="2.1144"
                           yFract="0.25052133"
                           z3="8.47171"
                           zFract="0.38126508"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11288"
                           xFract="0.25034123"
                           y3="4.24898"
                           yFract="0.50343365"
                           z3="4.2682"
                           zFract="0.19208821"/>
                     <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="4.23193"
                           xFract="0.50141351"
                           y3="6.33189"
                           yFract="0.75022393"
                           z3="8.42968"
                           zFract="0.37937354"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.08104"
                           xFract="0.24656872"
                           y3="-0.00905"
                           yFract="-0.00107227"
                           z3="8.49778"
                           zFract="0.38243834"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.0856"
                           xFract="0.247109"
                           y3="4.23519"
                           yFract="0.50179976"
                           z3="8.49798"
                           zFract="0.38244734"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.22007"
                           xFract="0.50000829"
                           y3="6.32906"
                           yFract="0.74988863"
                           z3="4.19561"
                           zFract="0.18882133"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33921"
                           xFract="0.75109123"
                           y3="2.08723"
                           yFract="0.24730213"
                           z3="6.36118"
                           zFract="0.28628173"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.11426"
                           xFract="0.25050474"
                           y3="6.33403"
                           yFract="0.75047749"
                           z3="6.3870"
                           zFract="0.28744374"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00035"
                           xFract="0.00004147"
                           y3="6.33437"
                           yFract="0.75051777"
                           z3="4.22135"
                           zFract="0.18997975"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.26813"
                           xFract="0.50570261"
                           y3="2.11441"
                           yFract="0.25052251"
                           z3="8.48579"
                           zFract="0.38189874"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32853"
                           xFract="0.74982583"
                           y3="0.03012"
                           yFract="0.00356872"
                           z3="4.16326"
                           zFract="0.18736544"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01094"
                           xFract="-0.00129621"
                           y3="2.11599"
                           yFract="0.25070972"
                           z3="4.24032"
                           zFract="0.19083348"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23425"
                           xFract="0.50168839"
                           y3="2.11077"
                           yFract="0.25009123"
                           z3="4.24026"
                           zFract="0.19083078"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33014"
                           xFract="0.75001659"
                           y3="-0.01741"
                           yFract="-0.0020628"
                           z3="8.6299"
                           zFract="0.38838434"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.26431"
                           xFract="0.50525"
                           y3="-0.00211"
                           yFract="-0.00025"
                           z3="6.39945"
                           zFract="0.28800405"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00572"
                           xFract="-0.00067773"
                           y3="4.21214"
                           yFract="0.49906872"
                           z3="6.37281"
                           zFract="0.28680513"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10851"
                           xFract="0.24982346"
                           y3="0.01434"
                           yFract="0.00169905"
                           z3="4.24136"
                           zFract="0.19088029"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.32309"
                           xFract="0.74918128"
                           y3="4.21277"
                           yFract="0.49914336"
                           z3="4.21357"
                           zFract="0.18962961"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.22038"
                           xFract="0.50004502"
                           y3="4.21028"
                           yFract="0.49884834"
                           z3="6.38123"
                           zFract="0.28718407"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04525"
                           xFract="-0.00536137"
                           y3="-0.00123"
                           yFract="-0.00014573"
                           z3="6.40074"
                           zFract="0.28806211"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.12654"
                           xFract="0.25195972"
                           y3="2.10862"
                           yFract="0.24983649"
                           z3="6.3962"
                           zFract="0.28785779"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.02476"
                           xFract="-0.00293365"
                           y3="2.09892"
                           yFract="0.2486872"
                           z3="6.40863"
                           zFract="0.28841719"/>
                     <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="2.10692"
                           xFract="0.24963507"
                           y3="-0.02369"
                           yFract="-0.00280687"
                           z3="6.42266"
                           zFract="0.2890486"/>
                     <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="-0.00605"
                           xFract="-0.00071682"
                           y3="-0.04459"
                           yFract="-0.00528318"
                           z3="4.2008"
                           zFract="0.18905491"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.08732"
                           xFract="-0.01034597"
                           y3="-0.01334"
                           yFract="-0.00158057"
                           z3="8.56272"
                           zFract="0.38536094"/>
                     <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="2.09838"
                           xFract="0.24862322"
                           y3="2.14524"
                           yFract="0.25417536"
                           z3="4.27277"
                           zFract="0.19229388"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13183"
                           xFract="0.25258649"
                           y3="2.10801"
                           yFract="0.24976422"
                           z3="8.58634"
                           zFract="0.38642394"/>
                     <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="4.26714"
                           xFract="0.50558531"
                           y3="2.1012"
                           yFract="0.24895735"
                           z3="6.42523"
                           zFract="0.28916427"/>
                     <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="6.33186"
                           xFract="0.75022038"
                           y3="-0.02226"
                           yFract="-0.00263744"
                           z3="6.14651"
                           zFract="0.27662061"/>
                     <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="4.22295"
                           xFract="0.50034953"
                           y3="-0.0329"
                           yFract="-0.0038981"
                           z3="4.20418"
                           zFract="0.18920702"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29361"
                           xFract="0.50872156"
                           y3="-0.00284"
                           yFract="-0.00033649"
                           z3="8.56137"
                           zFract="0.38530018"/>
                     <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="6.35214"
                           xFract="0.75262322"
                           y3="2.20772"
                           yFract="0.2615782"
                           z3="4.30353"
                           zFract="0.19367822"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34617"
                           xFract="0.75191588"
                           y3="2.21252"
                           yFract="0.26214692"
                           z3="8.47702"
                           zFract="0.38150405"/>
                     <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="-0.00971"
                           xFract="-0.00115047"
                           y3="6.33827"
                           yFract="0.75097986"
                           z3="6.36177"
                           zFract="0.28630828"/>
                     <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="2.10397"
                           xFract="0.24928555"
                           y3="4.25012"
                           yFract="0.50356872"
                           z3="6.41922"
                           zFract="0.28889379"/>
                     <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="0.07637"
                           xFract="0.00904858"
                           y3="4.27321"
                           yFract="0.5063045"
                           z3="4.25308"
                           zFract="0.19140774"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0711"
                           xFract="-0.00842417"
                           y3="4.23275"
                           yFract="0.50151066"
                           z3="8.54894"
                           zFract="0.38474077"/>
                     <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="2.10977"
                           xFract="0.24997275"
                           y3="6.32283"
                           yFract="0.74915047"
                           z3="4.32334"
                           zFract="0.19456976"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.09958"
                           xFract="0.2487654"
                           y3="6.3351"
                           yFract="0.75060427"
                           z3="8.50969"
                           zFract="0.38297435"/>
                     <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="4.22879"
                           xFract="0.50104147"
                           y3="6.3321"
                           yFract="0.75024882"
                           z3="6.3590"
                           zFract="0.28618362"/>
                     <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="6.32893"
                           xFract="0.74987322"
                           y3="4.23765"
                           yFract="0.50209123"
                           z3="6.4029"
                           zFract="0.28815932"/>
                     <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="4.14222"
                           xFract="0.49078436"
                           y3="4.25143"
                           yFract="0.50372393"
                           z3="4.23014"
                           zFract="0.19037534"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26287"
                           xFract="0.50507938"
                           y3="4.23005"
                           yFract="0.50119076"
                           z3="8.55263"
                           zFract="0.38490684"/>
                     <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="6.32975"
                           xFract="0.74997038"
                           y3="6.23739"
                           yFract="0.73902725"
                           z3="4.25644"
                           zFract="0.19155896"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32718"
                           xFract="0.74966588"
                           y3="6.2275"
                           yFract="0.73785545"
                           z3="8.38112"
                           zFract="0.37718812"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a31" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.17">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33114"
                           xFract="0.75013507"
                           y3="4.22288"
                           yFract="0.50034123"
                           z3="8.46747"
                           zFract="0.38107426"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.32638"
                           xFract="0.74957109"
                           y3="6.32725"
                           yFract="0.74967417"
                           z3="6.34166"
                           zFract="0.28540324"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.01594"
                           xFract="-0.00188863"
                           y3="6.33187"
                           yFract="0.75022156"
                           z3="8.41894"
                           zFract="0.37889019"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01739"
                           xFract="-0.00206043"
                           y3="2.11443"
                           yFract="0.25052488"
                           z3="8.48669"
                           zFract="0.38193924"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11447"
                           xFract="0.25052962"
                           y3="4.24551"
                           yFract="0.50302251"
                           z3="4.27027"
                           zFract="0.19218137"/>
                     <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="4.23096"
                           xFract="0.50129858"
                           y3="6.33334"
                           yFract="0.75039573"
                           z3="8.4394"
                           zFract="0.37981098"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.08087"
                           xFract="0.24654858"
                           y3="-0.00399"
                           yFract="-0.00047275"
                           z3="8.51045"
                           zFract="0.38300855"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08623"
                           xFract="0.24718365"
                           y3="4.23241"
                           yFract="0.50147038"
                           z3="8.51081"
                           zFract="0.38302475"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2201"
                           xFract="0.50001185"
                           y3="6.33144"
                           yFract="0.75017062"
                           z3="4.19706"
                           zFract="0.18888659"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.34082"
                           xFract="0.75128199"
                           y3="2.08812"
                           yFract="0.24740758"
                           z3="6.36783"
                           zFract="0.28658101"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.11389"
                           xFract="0.2504609"
                           y3="6.33575"
                           yFract="0.75068128"
                           z3="6.39615"
                           zFract="0.28785554"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00084"
                           xFract="-0.00009953"
                           y3="6.33734"
                           yFract="0.75086967"
                           z3="4.22297"
                           zFract="0.19005266"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.26422"
                           xFract="0.50523934"
                           y3="2.11262"
                           yFract="0.25031043"
                           z3="8.4960"
                           zFract="0.38235824"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32918"
                           xFract="0.74990284"
                           y3="0.02999"
                           yFract="0.00355332"
                           z3="4.16316"
                           zFract="0.18736094"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00991"
                           xFract="-0.00117417"
                           y3="2.11741"
                           yFract="0.25087796"
                           z3="4.24519"
                           zFract="0.19105266"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23629"
                           xFract="0.50193009"
                           y3="2.11251"
                           yFract="0.25029739"
                           z3="4.24198"
                           zFract="0.19090819"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33036"
                           xFract="0.75004265"
                           y3="-0.01559"
                           yFract="-0.00184716"
                           z3="8.64058"
                           zFract="0.38886499"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.26469"
                           xFract="0.50529502"
                           y3="-0.00271"
                           yFract="-0.00032109"
                           z3="6.40904"
                           zFract="0.28843564"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00503"
                           xFract="-0.00059597"
                           y3="4.20928"
                           yFract="0.49872986"
                           z3="6.38212"
                           zFract="0.28722412"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10714"
                           xFract="0.24966114"
                           y3="0.01548"
                           yFract="0.00183412"
                           z3="4.24503"
                           zFract="0.19104545"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.32336"
                           xFract="0.74921327"
                           y3="4.21139"
                           yFract="0.49897986"
                           z3="4.21607"
                           zFract="0.18974212"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.21969"
                           xFract="0.49996327"
                           y3="4.20987"
                           yFract="0.49879976"
                           z3="6.3913"
                           zFract="0.28763726"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04555"
                           xFract="-0.00539692"
                           y3="0.00025"
                           yFract="0.00002962"
                           z3="6.40803"
                           zFract="0.28839019"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.12431"
                           xFract="0.2516955"
                           y3="2.10785"
                           yFract="0.24974526"
                           z3="6.40807"
                           zFract="0.28839199"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.02375"
                           xFract="-0.00281398"
                           y3="2.09792"
                           yFract="0.24856872"
                           z3="6.42605"
                           zFract="0.28920117"/>
                     <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="2.10625"
                           xFract="0.24955569"
                           y3="-0.02437"
                           yFract="-0.00288744"
                           z3="6.43306"
                           zFract="0.28951665"/>
                     <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="-0.0072"
                           xFract="-0.00085308"
                           y3="-0.04248"
                           yFract="-0.00503318"
                           z3="4.20387"
                           zFract="0.18919307"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.08715"
                           xFract="-0.01032583"
                           y3="-0.01411"
                           yFract="-0.0016718"
                           z3="8.57105"
                           zFract="0.38573582"/>
                     <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="2.1021"
                           xFract="0.24906398"
                           y3="2.14403"
                           yFract="0.25403199"
                           z3="4.2824"
                           zFract="0.19272727"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13036"
                           xFract="0.25241232"
                           y3="2.10798"
                           yFract="0.24976066"
                           z3="8.60157"
                           zFract="0.38710936"/>
                     <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="4.26608"
                           xFract="0.50545972"
                           y3="2.1016"
                           yFract="0.24900474"
                           z3="6.43585"
                           zFract="0.28964221"/>
                     <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="6.33211"
                           xFract="0.75025"
                           y3="-0.02549"
                           yFract="-0.00302014"
                           z3="6.15724"
                           zFract="0.27710351"/>
                     <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="4.22381"
                           xFract="0.50045142"
                           y3="-0.02654"
                           yFract="-0.00314455"
                           z3="4.20836"
                           zFract="0.18939514"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2932"
                           xFract="0.50867299"
                           y3="-0.00736"
                           yFract="-0.00087204"
                           z3="8.57143"
                           zFract="0.38575293"/>
                     <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="6.34913"
                           xFract="0.75226659"
                           y3="2.21192"
                           yFract="0.26207583"
                           z3="4.3073"
                           zFract="0.19384788"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34741"
                           xFract="0.7520628"
                           y3="2.20937"
                           yFract="0.2617737"
                           z3="8.48124"
                           zFract="0.38169397"/>
                     <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="-0.01315"
                           xFract="-0.00155806"
                           y3="6.3387"
                           yFract="0.75103081"
                           z3="6.36372"
                           zFract="0.28639604"/>
                     <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="2.1056"
                           xFract="0.24947867"
                           y3="4.25162"
                           yFract="0.50374645"
                           z3="6.42423"
                           zFract="0.28911926"/>
                     <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="0.07293"
                           xFract="0.008641"
                           y3="4.27418"
                           yFract="0.50641943"
                           z3="4.25853"
                           zFract="0.19165302"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.06874"
                           xFract="-0.00814455"
                           y3="4.23651"
                           yFract="0.50195616"
                           z3="8.55526"
                           zFract="0.3850252"/>
                     <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="2.11213"
                           xFract="0.25025237"
                           y3="6.32444"
                           yFract="0.74934123"
                           z3="4.33471"
                           zFract="0.19508146"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.09971"
                           xFract="0.24878081"
                           y3="6.33562"
                           yFract="0.75066588"
                           z3="8.52496"
                           zFract="0.38366157"/>
                     <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="4.23094"
                           xFract="0.50129621"
                           y3="6.33142"
                           yFract="0.75016825"
                           z3="6.36398"
                           zFract="0.28640774"/>
                     <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="6.32819"
                           xFract="0.74978555"
                           y3="4.23859"
                           yFract="0.50220261"
                           z3="6.40659"
                           zFract="0.28832538"/>
                     <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="4.14401"
                           xFract="0.49099645"
                           y3="4.24794"
                           yFract="0.50331043"
                           z3="4.23644"
                           zFract="0.19065887"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26013"
                           xFract="0.50475474"
                           y3="4.23408"
                           yFract="0.50166825"
                           z3="8.55937"
                           zFract="0.38521017"/>
                     <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="6.32793"
                           xFract="0.74975474"
                           y3="6.23525"
                           yFract="0.7387737"
                           z3="4.25968"
                           zFract="0.19170477"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32736"
                           xFract="0.7496872"
                           y3="6.22768"
                           yFract="0.73787678"
                           z3="8.38936"
                           zFract="0.37755896"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a31" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.18">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33405"
                           xFract="0.75047986"
                           y3="4.2249"
                           yFract="0.50058057"
                           z3="8.47543"
                           zFract="0.38143249"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.32628"
                           xFract="0.74955924"
                           y3="6.32873"
                           yFract="0.74984953"
                           z3="6.34416"
                           zFract="0.28551575"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.01628"
                           xFract="-0.00192891"
                           y3="6.33106"
                           yFract="0.75012559"
                           z3="8.42921"
                           zFract="0.37935239"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01676"
                           xFract="-0.00198578"
                           y3="2.11445"
                           yFract="0.25052725"
                           z3="8.4973"
                           zFract="0.38241674"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1156"
                           xFract="0.25066351"
                           y3="4.24305"
                           yFract="0.50273104"
                           z3="4.27173"
                           zFract="0.19224707"/>
                     <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="4.23027"
                           xFract="0.50121682"
                           y3="6.33437"
                           yFract="0.75051777"
                           z3="8.44629"
                           zFract="0.38012106"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.08076"
                           xFract="0.24653555"
                           y3="-0.0004"
                           yFract="-0.00004739"
                           z3="8.51942"
                           zFract="0.38341224"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08668"
                           xFract="0.24723697"
                           y3="4.23044"
                           yFract="0.50123697"
                           z3="8.51989"
                           zFract="0.38343339"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.22012"
                           xFract="0.50001422"
                           y3="6.33313"
                           yFract="0.75037085"
                           z3="4.19809"
                           zFract="0.18893294"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.34196"
                           xFract="0.75141706"
                           y3="2.08875"
                           yFract="0.24748223"
                           z3="6.37254"
                           zFract="0.28679298"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.11363"
                           xFract="0.25043009"
                           y3="6.33696"
                           yFract="0.75082464"
                           z3="6.40264"
                           zFract="0.28814761"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00167"
                           xFract="-0.00019787"
                           y3="6.33944"
                           yFract="0.75111848"
                           z3="4.22412"
                           zFract="0.19010441"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.26145"
                           xFract="0.50491114"
                           y3="2.11135"
                           yFract="0.25015995"
                           z3="8.50323"
                           zFract="0.38268362"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32965"
                           xFract="0.74995853"
                           y3="0.02989"
                           yFract="0.00354147"
                           z3="4.16309"
                           zFract="0.18735779"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00918"
                           xFract="-0.00108768"
                           y3="2.11841"
                           yFract="0.25099645"
                           z3="4.24864"
                           zFract="0.19120792"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23774"
                           xFract="0.5021019"
                           y3="2.11375"
                           yFract="0.25044431"
                           z3="4.2432"
                           zFract="0.1909631"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33051"
                           xFract="0.75006043"
                           y3="-0.01431"
                           yFract="-0.0016955"
                           z3="8.64815"
                           zFract="0.38920567"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.26496"
                           xFract="0.50532701"
                           y3="-0.00314"
                           yFract="-0.00037204"
                           z3="6.41584"
                           zFract="0.28874167"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00453"
                           xFract="-0.00053673"
                           y3="4.20725"
                           yFract="0.49848934"
                           z3="6.38872"
                           zFract="0.28752115"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10616"
                           xFract="0.24954502"
                           y3="0.01629"
                           yFract="0.00193009"
                           z3="4.24764"
                           zFract="0.19116292"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.32354"
                           xFract="0.7492346"
                           y3="4.21042"
                           yFract="0.49886493"
                           z3="4.21784"
                           zFract="0.18982178"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2192"
                           xFract="0.49990521"
                           y3="4.20957"
                           yFract="0.49876422"
                           z3="6.39843"
                           zFract="0.28795815"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04576"
                           xFract="-0.0054218"
                           y3="0.00129"
                           yFract="0.00015284"
                           z3="6.4132"
                           zFract="0.28862286"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.12273"
                           xFract="0.25150829"
                           y3="2.10731"
                           yFract="0.24968128"
                           z3="6.41648"
                           zFract="0.28877048"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.02304"
                           xFract="-0.00272986"
                           y3="2.09722"
                           yFract="0.24848578"
                           z3="6.43839"
                           zFract="0.28975653"/>
                     <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="2.10578"
                           xFract="0.2495"
                           y3="-0.02485"
                           yFract="-0.00294431"
                           z3="6.44043"
                           zFract="0.28984833"/>
                     <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="-0.00802"
                           xFract="-0.00095024"
                           y3="-0.04098"
                           yFract="-0.00485545"
                           z3="4.20605"
                           zFract="0.18929118"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.08704"
                           xFract="-0.0103128"
                           y3="-0.01466"
                           yFract="-0.00173697"
                           z3="8.57694"
                           zFract="0.3860009"/>
                     <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="2.10474"
                           xFract="0.24937678"
                           y3="2.14318"
                           yFract="0.25393128"
                           z3="4.28922"
                           zFract="0.1930342"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12931"
                           xFract="0.25228791"
                           y3="2.10797"
                           yFract="0.24975948"
                           z3="8.61237"
                           zFract="0.38759541"/>
                     <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="4.26533"
                           xFract="0.50537085"
                           y3="2.10188"
                           yFract="0.24903791"
                           z3="6.44337"
                           zFract="0.28998065"/>
                     <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="6.33229"
                           xFract="0.75027133"
                           y3="-0.02778"
                           yFract="-0.00329147"
                           z3="6.16484"
                           zFract="0.27744554"/>
                     <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="4.22441"
                           xFract="0.50052251"
                           y3="-0.02203"
                           yFract="-0.00261019"
                           z3="4.21132"
                           zFract="0.18952835"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29291"
                           xFract="0.50863863"
                           y3="-0.01057"
                           yFract="-0.00125237"
                           z3="8.57855"
                           zFract="0.38607336"/>
                     <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="6.3470"
                           xFract="0.75201422"
                           y3="2.21489"
                           yFract="0.26242773"
                           z3="4.30998"
                           zFract="0.1939685"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34829"
                           xFract="0.75216706"
                           y3="2.20714"
                           yFract="0.26150948"
                           z3="8.48423"
                           zFract="0.38182853"/>
                     <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="-0.01559"
                           xFract="-0.00184716"
                           y3="6.3390"
                           yFract="0.75106635"
                           z3="6.3651"
                           zFract="0.28645815"/>
                     <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="2.10675"
                           xFract="0.24961493"
                           y3="4.25268"
                           yFract="0.50387204"
                           z3="6.42778"
                           zFract="0.28927903"/>
                     <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="0.07049"
                           xFract="0.0083519"
                           y3="4.27488"
                           yFract="0.50650237"
                           z3="4.26239"
                           zFract="0.19182673"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.06706"
                           xFract="-0.0079455"
                           y3="4.23917"
                           yFract="0.50227133"
                           z3="8.55974"
                           zFract="0.38522682"/>
                     <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="2.1138"
                           xFract="0.25045024"
                           y3="6.32558"
                           yFract="0.7494763"
                           z3="4.34277"
                           zFract="0.19544419"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.0998"
                           xFract="0.24879147"
                           y3="6.33599"
                           yFract="0.75070972"
                           z3="8.53577"
                           zFract="0.38414806"/>
                     <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="4.23246"
                           xFract="0.5014763"
                           y3="6.33093"
                           yFract="0.75011019"
                           z3="6.36752"
                           zFract="0.28656706"/>
                     <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="6.32766"
                           xFract="0.74972275"
                           y3="4.23925"
                           yFract="0.50228081"
                           z3="6.40921"
                           zFract="0.28844329"/>
                     <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="4.14527"
                           xFract="0.49114573"
                           y3="4.24546"
                           yFract="0.50301659"
                           z3="4.2409"
                           zFract="0.19085959"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.25819"
                           xFract="0.50452488"
                           y3="4.23693"
                           yFract="0.50200592"
                           z3="8.56414"
                           zFract="0.38542484"/>
                     <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="6.32664"
                           xFract="0.7496019"
                           y3="6.23373"
                           yFract="0.7385936"
                           z3="4.26198"
                           zFract="0.19180828"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32749"
                           xFract="0.74970261"
                           y3="6.22781"
                           yFract="0.73789218"
                           z3="8.39519"
                           zFract="0.37782133"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a64" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a31" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.19">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33309"
                           xFract="0.75036611"
                           y3="4.22716"
                           yFract="0.50084834"
                           z3="8.48607"
                           zFract="0.38191134"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.32731"
                           xFract="0.74968128"
                           y3="6.32758"
                           yFract="0.74971327"
                           z3="6.35129"
                           zFract="0.28583663"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.01598"
                           xFract="-0.00189336"
                           y3="6.33034"
                           yFract="0.75004028"
                           z3="8.43789"
                           zFract="0.37974302"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01683"
                           xFract="-0.00199408"
                           y3="2.11554"
                           yFract="0.2506564"
                           z3="8.51338"
                           zFract="0.38314041"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11449"
                           xFract="0.25053199"
                           y3="4.24338"
                           yFract="0.50277014"
                           z3="4.27983"
                           zFract="0.19261161"/>
                     <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="4.22855"
                           xFract="0.50101303"
                           y3="6.33335"
                           yFract="0.75039692"
                           z3="8.45499"
                           zFract="0.3805126"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.07969"
                           xFract="0.24640877"
                           y3="-0.0005"
                           yFract="-0.00005924"
                           z3="8.53078"
                           zFract="0.38392349"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08707"
                           xFract="0.24728318"
                           y3="4.22941"
                           yFract="0.50111493"
                           z3="8.52991"
                           zFract="0.38388434"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21849"
                           xFract="0.49982109"
                           y3="6.33281"
                           yFract="0.75033294"
                           z3="4.20472"
                           zFract="0.18923132"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.34005"
                           xFract="0.75119076"
                           y3="2.09035"
                           yFract="0.2476718"
                           z3="6.3831"
                           zFract="0.28726823"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.11163"
                           xFract="0.25019313"
                           y3="6.33701"
                           yFract="0.75083057"
                           z3="6.41237"
                           zFract="0.28858551"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00133"
                           xFract="-0.00015758"
                           y3="6.33767"
                           yFract="0.75090877"
                           z3="4.23251"
                           zFract="0.190482"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.26233"
                           xFract="0.5050154"
                           y3="2.11317"
                           yFract="0.25037559"
                           z3="8.51458"
                           zFract="0.38319442"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32901"
                           xFract="0.7498827"
                           y3="0.02842"
                           yFract="0.0033673"
                           z3="4.17081"
                           zFract="0.18770522"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00564"
                           xFract="-0.00066825"
                           y3="2.12079"
                           yFract="0.25127844"
                           z3="4.25778"
                           zFract="0.19161926"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23644"
                           xFract="0.50194787"
                           y3="2.11542"
                           yFract="0.25064218"
                           z3="4.25407"
                           zFract="0.1914523"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33189"
                           xFract="0.75022393"
                           y3="-0.01224"
                           yFract="-0.00145024"
                           z3="8.65583"
                           zFract="0.38955131"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.26386"
                           xFract="0.50519668"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.42164"
                           zFract="0.2890027"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00686"
                           xFract="-0.0008128"
                           y3="4.20826"
                           yFract="0.498609"
                           z3="6.39466"
                           zFract="0.28778848"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10669"
                           xFract="0.24960782"
                           y3="0.01557"
                           yFract="0.00184479"
                           z3="4.25187"
                           zFract="0.19135329"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.32462"
                           xFract="0.74936256"
                           y3="4.2133"
                           yFract="0.49920616"
                           z3="4.22453"
                           zFract="0.19012286"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.22268"
                           xFract="0.50031754"
                           y3="4.20799"
                           yFract="0.49857701"
                           z3="6.40609"
                           zFract="0.28830288"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04443"
                           xFract="-0.00526422"
                           y3="0.00107"
                           yFract="0.00012678"
                           z3="6.42017"
                           zFract="0.28893654"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.12212"
                           xFract="0.25143602"
                           y3="2.10634"
                           yFract="0.24956635"
                           z3="6.42488"
                           zFract="0.28914851"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.01816"
                           xFract="-0.00215166"
                           y3="2.09839"
                           yFract="0.24862441"
                           z3="6.45049"
                           zFract="0.29030108"/>
                     <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="2.1065"
                           xFract="0.24958531"
                           y3="-0.02232"
                           yFract="-0.00264455"
                           z3="6.4548"
                           zFract="0.29049505"/>
                     <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="-0.01049"
                           xFract="-0.00124289"
                           y3="-0.03944"
                           yFract="-0.00467299"
                           z3="4.2094"
                           zFract="0.18944194"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.08581"
                           xFract="-0.01016706"
                           y3="-0.01459"
                           yFract="-0.00172867"
                           z3="8.58968"
                           zFract="0.38657426"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.10465"
                           xFract="0.24936611"
                           y3="2.14345"
                           yFract="0.25396327"
                           z3="4.29354"
                           zFract="0.19322862"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12961"
                           xFract="0.25232346"
                           y3="2.11011"
                           yFract="0.25001303"
                           z3="8.6243"
                           zFract="0.38813231"/>
                     <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="4.25941"
                           xFract="0.50466943"
                           y3="2.10074"
                           yFract="0.24890284"
                           z3="6.4549"
                           zFract="0.29049955"/>
                     <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="6.3311"
                           xFract="0.75013033"
                           y3="-0.02837"
                           yFract="-0.00336137"
                           z3="6.17587"
                           zFract="0.27794194"/>
                     <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="4.2283"
                           xFract="0.50098341"
                           y3="-0.02079"
                           yFract="-0.00246327"
                           z3="4.21415"
                           zFract="0.18965572"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29105"
                           xFract="0.50841825"
                           y3="-0.01086"
                           yFract="-0.00128673"
                           z3="8.59194"
                           zFract="0.38667597"/>
                     <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="6.34634"
                           xFract="0.75193602"
                           y3="2.21303"
                           yFract="0.26220735"
                           z3="4.31511"
                           zFract="0.19419937"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34667"
                           xFract="0.75197512"
                           y3="2.20323"
                           yFract="0.26104621"
                           z3="8.49286"
                           zFract="0.38221692"/>
                     <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="-0.01674"
                           xFract="-0.00198341"
                           y3="6.33914"
                           yFract="0.75108294"
                           z3="6.37525"
                           zFract="0.28691494"/>
                     <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="2.1081"
                           xFract="0.24977488"
                           y3="4.25172"
                           yFract="0.50375829"
                           z3="6.44028"
                           zFract="0.28984158"/>
                     <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="0.07113"
                           xFract="0.00842773"
                           y3="4.27418"
                           yFract="0.50641943"
                           z3="4.26643"
                           zFract="0.19200855"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0663"
                           xFract="-0.00785545"
                           y3="4.24065"
                           yFract="0.50244668"
                           z3="8.56848"
                           zFract="0.38562016"/>
                     <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="2.11563"
                           xFract="0.25066706"
                           y3="6.32535"
                           yFract="0.74944905"
                           z3="4.3444"
                           zFract="0.19551755"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.09908"
                           xFract="0.24870616"
                           y3="6.33582"
                           yFract="0.75068957"
                           z3="8.54521"
                           zFract="0.38457291"/>
                     <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="4.23353"
                           xFract="0.50160308"
                           y3="6.33131"
                           yFract="0.75015521"
                           z3="6.37466"
                           zFract="0.28688839"/>
                     <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="6.32673"
                           xFract="0.74961256"
                           y3="4.24021"
                           yFract="0.50239455"
                           z3="6.41775"
                           zFract="0.28882763"/>
                     <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="4.14604"
                           xFract="0.49123697"
                           y3="4.24665"
                           yFract="0.50315758"
                           z3="4.24233"
                           zFract="0.19092394"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26039"
                           xFract="0.50478555"
                           y3="4.23763"
                           yFract="0.50208886"
                           z3="8.57221"
                           zFract="0.38578803"/>
                     <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="6.32473"
                           xFract="0.74937559"
                           y3="6.23709"
                           yFract="0.73899171"
                           z3="4.2664"
                           zFract="0.1920072"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32953"
                           xFract="0.74994431"
                           y3="6.23094"
                           yFract="0.73826303"
                           z3="8.40513"
                           zFract="0.37826868"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a31" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.20">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33217"
                           xFract="0.75025711"
                           y3="4.22933"
                           yFract="0.50110545"
                           z3="8.49628"
                           zFract="0.38237084"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.32831"
                           xFract="0.74979976"
                           y3="6.32647"
                           yFract="0.74958175"
                           z3="6.35813"
                           zFract="0.28614446"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.0157"
                           xFract="-0.00186019"
                           y3="6.32964"
                           yFract="0.74995735"
                           z3="8.44623"
                           zFract="0.38011836"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01689"
                           xFract="-0.00200118"
                           y3="2.11659"
                           yFract="0.25078081"
                           z3="8.5288"
                           zFract="0.38383438"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11342"
                           xFract="0.25040521"
                           y3="4.24369"
                           yFract="0.50280687"
                           z3="4.28761"
                           zFract="0.19296175"/>
                     <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="4.22689"
                           xFract="0.50081635"
                           y3="6.33237"
                           yFract="0.75028081"
                           z3="8.46333"
                           zFract="0.38088794"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.07867"
                           xFract="0.24628791"
                           y3="-0.00059"
                           yFract="-0.00006991"
                           z3="8.54169"
                           zFract="0.38441449"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08744"
                           xFract="0.24732701"
                           y3="4.22842"
                           yFract="0.50099763"
                           z3="8.53954"
                           zFract="0.38431773"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21693"
                           xFract="0.49963626"
                           y3="6.3325"
                           yFract="0.75029621"
                           z3="4.21109"
                           zFract="0.189518"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33821"
                           xFract="0.75097275"
                           y3="2.09189"
                           yFract="0.24785427"
                           z3="6.39324"
                           zFract="0.28772457"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.10971"
                           xFract="0.24996564"
                           y3="6.33706"
                           yFract="0.75083649"
                           z3="6.42171"
                           zFract="0.28900585"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00101"
                           xFract="-0.00011967"
                           y3="6.33598"
                           yFract="0.75070853"
                           z3="4.24057"
                           zFract="0.19084473"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.26318"
                           xFract="0.50511611"
                           y3="2.11491"
                           yFract="0.25058175"
                           z3="8.52548"
                           zFract="0.38368497"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3284"
                           xFract="0.74981043"
                           y3="0.02701"
                           yFract="0.00320024"
                           z3="4.17822"
                           zFract="0.1880387"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00225"
                           xFract="-0.00026659"
                           y3="2.12308"
                           yFract="0.25154976"
                           z3="4.26656"
                           zFract="0.1920144"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23519"
                           xFract="0.50179976"
                           y3="2.11703"
                           yFract="0.25083294"
                           z3="4.26451"
                           zFract="0.19192214"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33321"
                           xFract="0.75038033"
                           y3="-0.01025"
                           yFract="-0.00121445"
                           z3="8.66321"
                           zFract="0.38988344"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.2628"
                           xFract="0.50507109"
                           y3="0.00303"
                           yFract="0.000359"
                           z3="6.42721"
                           zFract="0.28925338"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00908"
                           xFract="-0.00107583"
                           y3="4.20923"
                           yFract="0.49872393"
                           z3="6.40036"
                           zFract="0.288045"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10719"
                           xFract="0.24966706"
                           y3="0.01487"
                           yFract="0.00176185"
                           z3="4.25593"
                           zFract="0.191536"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.32565"
                           xFract="0.7494846"
                           y3="4.21607"
                           yFract="0.49953436"
                           z3="4.23095"
                           zFract="0.19041179"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.22602"
                           xFract="0.50071327"
                           y3="4.20646"
                           yFract="0.49839573"
                           z3="6.41344"
                           zFract="0.28863366"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04315"
                           xFract="-0.00511256"
                           y3="0.00086"
                           yFract="0.0001019"
                           z3="6.42687"
                           zFract="0.28923807"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.12153"
                           xFract="0.25136611"
                           y3="2.10541"
                           yFract="0.24945616"
                           z3="6.43294"
                           zFract="0.28951125"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.01348"
                           xFract="-0.00159716"
                           y3="2.09951"
                           yFract="0.24875711"
                           z3="6.4621"
                           zFract="0.29082358"/>
                     <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="2.10719"
                           xFract="0.24966706"
                           y3="-0.01989"
                           yFract="-0.00235664"
                           z3="6.4686"
                           zFract="0.29111611"/>
                     <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="-0.01287"
                           xFract="-0.00152488"
                           y3="-0.03795"
                           yFract="-0.00449645"
                           z3="4.21261"
                           zFract="0.18958641"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.08464"
                           xFract="-0.01002844"
                           y3="-0.01453"
                           yFract="-0.00172156"
                           z3="8.60191"
                           zFract="0.38712466"/>
                     <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="2.10457"
                           xFract="0.24935664"
                           y3="2.1437"
                           yFract="0.25399289"
                           z3="4.2977"
                           zFract="0.19341584"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12989"
                           xFract="0.25235664"
                           y3="2.11218"
                           yFract="0.25025829"
                           z3="8.63575"
                           zFract="0.38864761"/>
                     <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="4.25372"
                           xFract="0.50399526"
                           y3="2.09965"
                           yFract="0.2487737"
                           z3="6.46597"
                           zFract="0.29099775"/>
                     <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="6.32996"
                           xFract="0.74999526"
                           y3="-0.02894"
                           yFract="-0.00342891"
                           z3="6.18646"
                           zFract="0.27841854"/>
                     <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="4.23203"
                           xFract="0.50142536"
                           y3="-0.0196"
                           yFract="-0.00232227"
                           z3="4.21687"
                           zFract="0.18977813"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.28927"
                           xFract="0.50820735"
                           y3="-0.01115"
                           yFract="-0.00132109"
                           z3="8.60479"
                           zFract="0.38725428"/>
                     <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="6.3457"
                           xFract="0.75186019"
                           y3="2.21124"
                           yFract="0.26199526"
                           z3="4.32003"
                           zFract="0.19442079"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34511"
                           xFract="0.75179028"
                           y3="2.19947"
                           yFract="0.26060071"
                           z3="8.50114"
                           zFract="0.38258956"/>
                     <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="-0.01784"
                           xFract="-0.00211374"
                           y3="6.33928"
                           yFract="0.75109953"
                           z3="6.38498"
                           zFract="0.28735284"/>
                     <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="2.1094"
                           xFract="0.24992891"
                           y3="4.2508"
                           yFract="0.50364929"
                           z3="6.45228"
                           zFract="0.29038164"/>
                     <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="0.07174"
                           xFract="0.0085"
                           y3="4.27351"
                           yFract="0.50634005"
                           z3="4.27032"
                           zFract="0.19218362"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.06557"
                           xFract="-0.00776896"
                           y3="4.24207"
                           yFract="0.50261493"
                           z3="8.57688"
                           zFract="0.3859982"/>
                     <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="2.11739"
                           xFract="0.25087559"
                           y3="6.32514"
                           yFract="0.74942417"
                           z3="4.34595"
                           zFract="0.19558731"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.09838"
                           xFract="0.24862322"
                           y3="6.33567"
                           yFract="0.7506718"
                           z3="8.55428"
                           zFract="0.3849811"/>
                     <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="4.23455"
                           xFract="0.50172393"
                           y3="6.33167"
                           yFract="0.75019787"
                           z3="6.38151"
                           zFract="0.28719667"/>
                     <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="6.32583"
                           xFract="0.74950592"
                           y3="4.24113"
                           yFract="0.50250355"
                           z3="6.42595"
                           zFract="0.28919667"/>
                     <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="4.14678"
                           xFract="0.49132464"
                           y3="4.24779"
                           yFract="0.50329265"
                           z3="4.2437"
                           zFract="0.1909856"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2625"
                           xFract="0.50503555"
                           y3="4.2383"
                           yFract="0.50216825"
                           z3="8.57996"
                           zFract="0.38613681"/>
                     <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="6.3229"
                           xFract="0.74915877"
                           y3="6.24031"
                           yFract="0.73937322"
                           z3="4.27065"
                           zFract="0.19219847"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33149"
                           xFract="0.75017654"
                           y3="6.23396"
                           yFract="0.73862085"
                           z3="8.41466"
                           zFract="0.37869757"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a31" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.21">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33115"
                           xFract="0.75013626"
                           y3="4.22806"
                           yFract="0.50095498"
                           z3="8.5063"
                           zFract="0.38282178"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3237"
                           xFract="0.74925355"
                           y3="6.32953"
                           yFract="0.74994431"
                           z3="6.37341"
                           zFract="0.28683213"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.01478"
                           xFract="-0.00175118"
                           y3="6.33119"
                           yFract="0.750141"
                           z3="8.45527"
                           zFract="0.3805252"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01566"
                           xFract="-0.00185545"
                           y3="2.11799"
                           yFract="0.25094668"
                           z3="8.5377"
                           zFract="0.38423492"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11753"
                           xFract="0.25089218"
                           y3="4.24496"
                           yFract="0.50295735"
                           z3="4.29651"
                           zFract="0.19336229"/>
                     <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="4.22705"
                           xFract="0.50083531"
                           y3="6.33414"
                           yFract="0.75049052"
                           z3="8.47006"
                           zFract="0.38119082"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.07948"
                           xFract="0.24638389"
                           y3="-0.00202"
                           yFract="-0.00023934"
                           z3="8.55611"
                           zFract="0.38506346"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08665"
                           xFract="0.24723341"
                           y3="4.22902"
                           yFract="0.50106872"
                           z3="8.5473"
                           zFract="0.38466697"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21665"
                           xFract="0.49960308"
                           y3="6.33131"
                           yFract="0.75015521"
                           z3="4.21754"
                           zFract="0.18980828"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33993"
                           xFract="0.75117654"
                           y3="2.09006"
                           yFract="0.24763744"
                           z3="6.40334"
                           zFract="0.28817912"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.11309"
                           xFract="0.25036611"
                           y3="6.33536"
                           yFract="0.75063507"
                           z3="6.42975"
                           zFract="0.28936769"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00027"
                           xFract="-0.00003199"
                           y3="6.33626"
                           yFract="0.75074171"
                           z3="4.24645"
                           zFract="0.19110936"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.26324"
                           xFract="0.50512322"
                           y3="2.11484"
                           yFract="0.25057346"
                           z3="8.54098"
                           zFract="0.38438254"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32849"
                           xFract="0.74982109"
                           y3="0.02812"
                           yFract="0.00333175"
                           z3="4.19069"
                           zFract="0.18859991"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.0036"
                           xFract="-0.00042654"
                           y3="2.1226"
                           yFract="0.25149289"
                           z3="4.27444"
                           zFract="0.19236904"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23298"
                           xFract="0.50153791"
                           y3="2.11876"
                           yFract="0.25103791"
                           z3="4.2742"
                           zFract="0.19235824"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33097"
                           xFract="0.75011493"
                           y3="-0.00989"
                           yFract="-0.0011718"
                           z3="8.67031"
                           zFract="0.39020297"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.26028"
                           xFract="0.50477251"
                           y3="0.00267"
                           yFract="0.00031635"
                           z3="6.4369"
                           zFract="0.28968947"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.0078"
                           xFract="-0.00092417"
                           y3="4.20878"
                           yFract="0.49867062"
                           z3="6.40928"
                           zFract="0.28844644"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10898"
                           xFract="0.24987915"
                           y3="0.01492"
                           yFract="0.00176777"
                           z3="4.2586"
                           zFract="0.19165617"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.32461"
                           xFract="0.74936137"
                           y3="4.21358"
                           yFract="0.49923934"
                           z3="4.23507"
                           zFract="0.19059721"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2243"
                           xFract="0.50050948"
                           y3="4.20853"
                           yFract="0.498641"
                           z3="6.41753"
                           zFract="0.28881773"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04323"
                           xFract="-0.00512204"
                           y3="0.00511"
                           yFract="0.00060545"
                           z3="6.43752"
                           zFract="0.28971737"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.12058"
                           xFract="0.25125355"
                           y3="2.10779"
                           yFract="0.24973815"
                           z3="6.44231"
                           zFract="0.28993294"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.01504"
                           xFract="-0.00178199"
                           y3="2.10198"
                           yFract="0.24904976"
                           z3="6.47317"
                           zFract="0.29132178"/>
                     <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="2.10699"
                           xFract="0.24964336"
                           y3="-0.02325"
                           yFract="-0.00275474"
                           z3="6.47494"
                           zFract="0.29140144"/>
                     <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="-0.01293"
                           xFract="-0.00153199"
                           y3="-0.04016"
                           yFract="-0.00475829"
                           z3="4.22057"
                           zFract="0.18994464"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.08287"
                           xFract="-0.00981872"
                           y3="-0.01264"
                           yFract="-0.00149763"
                           z3="8.61629"
                           zFract="0.38777183"/>
                     <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="2.10258"
                           xFract="0.24912085"
                           y3="2.14284"
                           yFract="0.253891"
                           z3="4.29863"
                           zFract="0.1934577"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1295"
                           xFract="0.25231043"
                           y3="2.11493"
                           yFract="0.25058412"
                           z3="8.65023"
                           zFract="0.38929928"/>
                     <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="4.25349"
                           xFract="0.50396801"
                           y3="2.10109"
                           yFract="0.24894431"
                           z3="6.47975"
                           zFract="0.29161791"/>
                     <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="6.33136"
                           xFract="0.75016114"
                           y3="-0.02523"
                           yFract="-0.00298934"
                           z3="6.19849"
                           zFract="0.27895995"/>
                     <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="4.23173"
                           xFract="0.50138981"
                           y3="-0.0241"
                           yFract="-0.00285545"
                           z3="4.22038"
                           zFract="0.18993609"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.28999"
                           xFract="0.50829265"
                           y3="-0.00906"
                           yFract="-0.00107346"
                           z3="8.61712"
                           zFract="0.38780918"/>
                     <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="6.34816"
                           xFract="0.75215166"
                           y3="2.21214"
                           yFract="0.2621019"
                           z3="4.33379"
                           zFract="0.19504005"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34267"
                           xFract="0.75150118"
                           y3="2.19845"
                           yFract="0.26047986"
                           z3="8.51725"
                           zFract="0.38331458"/>
                     <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="-0.01271"
                           xFract="-0.00150592"
                           y3="6.33909"
                           yFract="0.75107701"
                           z3="6.39679"
                           zFract="0.28788434"/>
                     <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="2.10902"
                           xFract="0.24988389"
                           y3="4.25176"
                           yFract="0.50376303"
                           z3="6.46349"
                           zFract="0.29088614"/>
                     <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="0.0726"
                           xFract="0.0086019"
                           y3="4.2741"
                           yFract="0.50640995"
                           z3="4.27793"
                           zFract="0.1925261"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.07035"
                           xFract="-0.00833531"
                           y3="4.23949"
                           yFract="0.50230924"
                           z3="8.58899"
                           zFract="0.3865432"/>
                     <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="2.11283"
                           xFract="0.25033531"
                           y3="6.32828"
                           yFract="0.74979621"
                           z3="4.35259"
                           zFract="0.19588614"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.09747"
                           xFract="0.2485154"
                           y3="6.33348"
                           yFract="0.75041232"
                           z3="8.55964"
                           zFract="0.38522232"/>
                     <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="4.23253"
                           xFract="0.5014846"
                           y3="6.33371"
                           yFract="0.75043957"
                           z3="6.39367"
                           zFract="0.28774392"/>
                     <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="6.32697"
                           xFract="0.749641"
                           y3="4.23663"
                           yFract="0.50197038"
                           z3="6.43887"
                           zFract="0.28977813"/>
                     <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="4.14555"
                           xFract="0.49117891"
                           y3="4.25078"
                           yFract="0.50364692"
                           z3="4.24633"
                           zFract="0.19110396"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26889"
                           xFract="0.50579265"
                           y3="4.2375"
                           yFract="0.50207346"
                           z3="8.59258"
                           zFract="0.38670477"/>
                     <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="6.3266"
                           xFract="0.74959716"
                           y3="6.24369"
                           yFract="0.7397737"
                           z3="4.27725"
                           zFract="0.1924955"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33249"
                           xFract="0.75029502"
                           y3="6.24081"
                           yFract="0.73943246"
                           z3="8.4252"
                           zFract="0.37917192"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a31" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.22">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33101"
                           xFract="0.75011967"
                           y3="4.22788"
                           yFract="0.50093365"
                           z3="8.50769"
                           zFract="0.38288434"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.32306"
                           xFract="0.74917773"
                           y3="6.32996"
                           yFract="0.74999526"
                           z3="6.37553"
                           zFract="0.28692754"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.01465"
                           xFract="-0.00173578"
                           y3="6.3314"
                           yFract="0.75016588"
                           z3="8.45652"
                           zFract="0.38058146"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01548"
                           xFract="-0.00183412"
                           y3="2.11819"
                           yFract="0.25097038"
                           z3="8.53894"
                           zFract="0.38429073"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1181"
                           xFract="0.25095972"
                           y3="4.24513"
                           yFract="0.50297749"
                           z3="4.29775"
                           zFract="0.19341809"/>
                     <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="4.22707"
                           xFract="0.50083768"
                           y3="6.33439"
                           yFract="0.75052014"
                           z3="8.47099"
                           zFract="0.38123267"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.07959"
                           xFract="0.24639692"
                           y3="-0.00222"
                           yFract="-0.00026303"
                           z3="8.55811"
                           zFract="0.38515347"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08654"
                           xFract="0.24722038"
                           y3="4.2291"
                           yFract="0.5010782"
                           z3="8.54837"
                           zFract="0.38471512"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21662"
                           xFract="0.49959953"
                           y3="6.33114"
                           yFract="0.75013507"
                           z3="4.21844"
                           zFract="0.18984878"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.34017"
                           xFract="0.75120498"
                           y3="2.0898"
                           yFract="0.24760664"
                           z3="6.40474"
                           zFract="0.28824212"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.11356"
                           xFract="0.2504218"
                           y3="6.33512"
                           yFract="0.75060664"
                           z3="6.43087"
                           zFract="0.28941809"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00017"
                           xFract="-0.00002014"
                           y3="6.3363"
                           yFract="0.75074645"
                           z3="4.24726"
                           zFract="0.19114581"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.26325"
                           xFract="0.50512441"
                           y3="2.11483"
                           yFract="0.25057227"
                           z3="8.54313"
                           zFract="0.3844793"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.32851"
                           xFract="0.74982346"
                           y3="0.02827"
                           yFract="0.00334953"
                           z3="4.19243"
                           zFract="0.18867822"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00379"
                           xFract="-0.00044905"
                           y3="2.12254"
                           yFract="0.25148578"
                           z3="4.27553"
                           zFract="0.19241809"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23267"
                           xFract="0.50150118"
                           y3="2.1190"
                           yFract="0.25106635"
                           z3="4.27554"
                           zFract="0.19241854"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33066"
                           xFract="0.7500782"
                           y3="-0.00984"
                           yFract="-0.00116588"
                           z3="8.67129"
                           zFract="0.39024707"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.25993"
                           xFract="0.50473104"
                           y3="0.00262"
                           yFract="0.00031043"
                           z3="6.43824"
                           zFract="0.28974977"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00763"
                           xFract="-0.00090403"
                           y3="4.20871"
                           yFract="0.49866232"
                           z3="6.41051"
                           zFract="0.2885018"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10923"
                           xFract="0.24990877"
                           y3="0.01493"
                           yFract="0.00176896"
                           z3="4.25898"
                           zFract="0.19167327"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.32446"
                           xFract="0.7493436"
                           y3="4.21324"
                           yFract="0.49919905"
                           z3="4.23565"
                           zFract="0.19062331"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.22406"
                           xFract="0.50048104"
                           y3="4.20882"
                           yFract="0.49867536"
                           z3="6.4181"
                           zFract="0.28884338"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04324"
                           xFract="-0.00512322"
                           y3="0.0057"
                           yFract="0.00067536"
                           z3="6.4390"
                           zFract="0.28978398"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.12045"
                           xFract="0.25123815"
                           y3="2.10812"
                           yFract="0.24977725"
                           z3="6.44361"
                           zFract="0.28999145"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.01526"
                           xFract="-0.00180806"
                           y3="2.10232"
                           yFract="0.24909005"
                           z3="6.4747"
                           zFract="0.29139064"/>
                     <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="2.10697"
                           xFract="0.249641"
                           y3="-0.02372"
                           yFract="-0.00281043"
                           z3="6.47583"
                           zFract="0.29144149"/>
                     <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="-0.01294"
                           xFract="-0.00153318"
                           y3="-0.04047"
                           yFract="-0.00479502"
                           z3="4.22168"
                           zFract="0.1899946"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.08262"
                           xFract="-0.0097891"
                           y3="-0.01237"
                           yFract="-0.00146564"
                           z3="8.61828"
                           zFract="0.38786139"/>
                     <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="2.1023"
                           xFract="0.24908768"
                           y3="2.14272"
                           yFract="0.25387678"
                           z3="4.29876"
                           zFract="0.19346355"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12944"
                           xFract="0.25230332"
                           y3="2.11531"
                           yFract="0.25062915"
                           z3="8.65223"
                           zFract="0.38938929"/>
                     <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="4.25346"
                           xFract="0.50396445"
                           y3="2.10129"
                           yFract="0.24896801"
                           z3="6.48166"
                           zFract="0.29170387"/>
                     <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="6.33156"
                           xFract="0.75018483"
                           y3="-0.02472"
                           yFract="-0.00292891"
                           z3="6.20016"
                           zFract="0.2790351"/>
                     <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="4.23169"
                           xFract="0.50138507"
                           y3="-0.02473"
                           yFract="-0.00293009"
                           z3="4.22087"
                           zFract="0.18995815"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29008"
                           xFract="0.50830332"
                           y3="-0.00877"
                           yFract="-0.0010391"
                           z3="8.61883"
                           zFract="0.38788614"/>
                     <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="6.3485"
                           xFract="0.75219194"
                           y3="2.21226"
                           yFract="0.26211611"
                           z3="4.3357"
                           zFract="0.19512601"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34234"
                           xFract="0.75146209"
                           y3="2.19831"
                           yFract="0.26046327"
                           z3="8.51949"
                           zFract="0.38341539"/>
                     <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="-0.0120"
                           xFract="-0.0014218"
                           y3="6.33906"
                           yFract="0.75107346"
                           z3="6.39843"
                           zFract="0.28795815"/>
                     <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="2.10897"
                           xFract="0.24987796"
                           y3="4.25189"
                           yFract="0.50377844"
                           z3="6.46505"
                           zFract="0.29095635"/>
                     <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="0.07272"
                           xFract="0.00861611"
                           y3="4.27418"
                           yFract="0.50641943"
                           z3="4.27898"
                           zFract="0.19257336"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.07101"
                           xFract="-0.00841351"
                           y3="4.23913"
                           yFract="0.50226659"
                           z3="8.59068"
                           zFract="0.38661926"/>
                     <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="2.1122"
                           xFract="0.25026066"
                           y3="6.32872"
                           yFract="0.74984834"
                           z3="4.35351"
                           zFract="0.19592754"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.09735"
                           xFract="0.24850118"
                           y3="6.33317"
                           yFract="0.75037559"
                           z3="8.56038"
                           zFract="0.38525563"/>
                     <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="4.23225"
                           xFract="0.50145142"
                           y3="6.3340"
                           yFract="0.75047393"
                           z3="6.39535"
                           zFract="0.28781953"/>
                     <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="6.32713"
                           xFract="0.74965995"
                           y3="4.2360"
                           yFract="0.50189573"
                           z3="6.44066"
                           zFract="0.28985869"/>
                     <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="4.14538"
                           xFract="0.49115877"
                           y3="4.2512"
                           yFract="0.50369668"
                           z3="4.24669"
                           zFract="0.19112016"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26978"
                           xFract="0.5058981"
                           y3="4.23738"
                           yFract="0.50205924"
                           z3="8.59433"
                           zFract="0.38678353"/>
                     <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="6.32711"
                           xFract="0.74965758"
                           y3="6.24416"
                           yFract="0.73982938"
                           z3="4.27816"
                           zFract="0.19253645"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33262"
                           xFract="0.75031043"
                           y3="6.24176"
                           yFract="0.73954502"
                           z3="8.42666"
                           zFract="0.37923762"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a31" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.23">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.33037"
                           xFract="0.75004384"
                           y3="4.22615"
                           yFract="0.50072867"
                           z3="8.51414"
                           zFract="0.38317462"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.32735"
                           xFract="0.74968602"
                           y3="6.33076"
                           yFract="0.75009005"
                           z3="6.38101"
                           zFract="0.28717417"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="-0.01501"
                           xFract="-0.00177844"
                           y3="6.3331"
                           yFract="0.7503673"
                           z3="8.46045"
                           zFract="0.38075833"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.01579"
                           xFract="-0.00187085"
                           y3="2.11862"
                           yFract="0.25102133"
                           z3="8.54004"
                           zFract="0.38434023"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.11524"
                           xFract="0.25062085"
                           y3="4.24562"
                           yFract="0.50303555"
                           z3="4.29678"
                           zFract="0.19337444"/>
                     <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="4.22874"
                           xFract="0.50103555"
                           y3="6.33452"
                           yFract="0.75053555"
                           z3="8.47871"
                           zFract="0.38158011"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.08089"
                           xFract="0.24655095"
                           y3="-0.00241"
                           yFract="-0.00028555"
                           z3="8.56134"
                           zFract="0.38529883"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08607"
                           xFract="0.24716469"
                           y3="4.23029"
                           yFract="0.50121919"
                           z3="8.55374"
                           zFract="0.3849568"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21957"
                           xFract="0.49994905"
                           y3="6.33312"
                           yFract="0.75036967"
                           z3="4.21639"
                           zFract="0.18975653"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33892"
                           xFract="0.75105687"
                           y3="2.09016"
                           yFract="0.24764929"
                           z3="6.41397"
                           zFract="0.28865752"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.11325"
                           xFract="0.25038507"
                           y3="6.33755"
                           yFract="0.75089455"
                           z3="6.43194"
                           zFract="0.28946625"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00104"
                           xFract="-0.00012322"
                           y3="6.33761"
                           yFract="0.75090166"
                           z3="4.24938"
                           zFract="0.19124122"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.26267"
                           xFract="0.50505569"
                           y3="2.11508"
                           yFract="0.2506019"
                           z3="8.5507"
                           zFract="0.38481998"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3292"
                           xFract="0.74990521"
                           y3="0.03112"
                           yFract="0.0036872"
                           z3="4.19403"
                           zFract="0.18875023"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00769"
                           xFract="-0.00091114"
                           y3="2.11983"
                           yFract="0.25116469"
                           z3="4.27433"
                           zFract="0.19236409"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23323"
                           xFract="0.50156754"
                           y3="2.1164"
                           yFract="0.25075829"
                           z3="4.27583"
                           zFract="0.19243159"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33069"
                           xFract="0.75008175"
                           y3="-0.00966"
                           yFract="-0.00114455"
                           z3="8.67734"
                           zFract="0.39051935"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="4.25698"
                           xFract="0.50438152"
                           y3="0.00481"
                           yFract="0.00056991"
                           z3="6.44541"
                           zFract="0.29007246"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.0085"
                           xFract="-0.00100711"
                           y3="4.21203"
                           yFract="0.49905569"
                           z3="6.41567"
                           zFract="0.28873402"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10927"
                           xFract="0.24991351"
                           y3="0.01599"
                           yFract="0.00189455"
                           z3="4.25994"
                           zFract="0.19171647"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.32499"
                           xFract="0.7494064"
                           y3="4.21434"
                           yFract="0.49932938"
                           z3="4.23666"
                           zFract="0.19066877"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.22453"
                           xFract="0.50053673"
                           y3="4.20822"
                           yFract="0.49860427"
                           z3="6.42218"
                           zFract="0.289027"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04013"
                           xFract="-0.00475474"
                           y3="0.00508"
                           yFract="0.0006019"
                           z3="6.44699"
                           zFract="0.29014356"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.12216"
                           xFract="0.25144076"
                           y3="2.10664"
                           yFract="0.2496019"
                           z3="6.44788"
                           zFract="0.29018362"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="-0.01749"
                           xFract="-0.00207227"
                           y3="2.10248"
                           yFract="0.249109"
                           z3="6.47979"
                           zFract="0.29161971"/>
                     <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="2.10712"
                           xFract="0.24965877"
                           y3="-0.02246"
                           yFract="-0.00266114"
                           z3="6.47666"
                           zFract="0.29147885"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="-0.01095"
                           xFract="-0.00129739"
                           y3="-0.04002"
                           yFract="-0.00474171"
                           z3="4.22712"
                           zFract="0.19023942"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.08215"
                           xFract="-0.00973341"
                           y3="-0.01043"
                           yFract="-0.00123578"
                           z3="8.62431"
                           zFract="0.38813276"/>
                     <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="2.10053"
                           xFract="0.24887796"
                           y3="2.1430"
                           yFract="0.25390995"
                           z3="4.30145"
                           zFract="0.19358461"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12867"
                           xFract="0.25221209"
                           y3="2.11498"
                           yFract="0.25059005"
                           z3="8.65843"
                           zFract="0.38966832"/>
                     <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="4.25579"
                           xFract="0.50424052"
                           y3="2.10334"
                           yFract="0.2492109"
                           z3="6.48846"
                           zFract="0.2920099"/>
                     <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="6.33071"
                           xFract="0.75008412"
                           y3="-0.02242"
                           yFract="-0.0026564"
                           z3="6.21013"
                           zFract="0.2794838"/>
                     <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="4.22957"
                           xFract="0.50113389"
                           y3="-0.02907"
                           yFract="-0.00344431"
                           z3="4.2248"
                           zFract="0.19013501"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.28844"
                           xFract="0.508109"
                           y3="-0.00808"
                           yFract="-0.00095735"
                           z3="8.62326"
                           zFract="0.38808551"/>
                     <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="6.3492"
                           xFract="0.75227488"
                           y3="2.21282"
                           yFract="0.26218246"
                           z3="4.34544"
                           zFract="0.19556436"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34381"
                           xFract="0.75163626"
                           y3="2.1992"
                           yFract="0.26056872"
                           z3="8.53123"
                           zFract="0.38394374"/>
                     <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="-0.01137"
                           xFract="-0.00134716"
                           y3="6.34032"
                           yFract="0.75122275"
                           z3="6.40586"
                           zFract="0.28829253"/>
                     <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="2.11034"
                           xFract="0.25004028"
                           y3="4.25135"
                           yFract="0.50371445"
                           z3="6.46659"
                           zFract="0.29102565"/>
                     <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="0.07564"
                           xFract="0.00896209"
                           y3="4.27345"
                           yFract="0.50633294"
                           z3="4.28416"
                           zFract="0.19280648"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.07522"
                           xFract="-0.00891232"
                           y3="4.23573"
                           yFract="0.50186374"
                           z3="8.59912"
                           zFract="0.3869991"/>
                     <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="2.11056"
                           xFract="0.25006635"
                           y3="6.32836"
                           yFract="0.74980569"
                           z3="4.36267"
                           zFract="0.19633978"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.09893"
                           xFract="0.24868839"
                           y3="6.33148"
                           yFract="0.75017536"
                           z3="8.56355"
                           zFract="0.38539829"/>
                     <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="4.23048"
                           xFract="0.50124171"
                           y3="6.33401"
                           yFract="0.75047512"
                           z3="6.4018"
                           zFract="0.28810981"/>
                     <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="6.32608"
                           xFract="0.74953555"
                           y3="4.23623"
                           yFract="0.50192299"
                           z3="6.44734"
                           zFract="0.29015932"/>
                     <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="4.14618"
                           xFract="0.49125355"
                           y3="4.25557"
                           yFract="0.50421445"
                           z3="4.25229"
                           zFract="0.19137219"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.27138"
                           xFract="0.50608768"
                           y3="4.23876"
                           yFract="0.50222275"
                           z3="8.60168"
                           zFract="0.38711431"/>
                     <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="6.32808"
                           xFract="0.74977251"
                           y3="6.23947"
                           yFract="0.7392737"
                           z3="4.28526"
                           zFract="0.19285599"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33194"
                           xFract="0.75022986"
                           y3="6.24366"
                           yFract="0.73977014"
                           z3="8.43268"
                           zFract="0.37950855"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a58" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a55" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a51" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a58" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a68" order="S"/>
                     <bond atomRefs2="a5 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a62" order="S"/>
                     <bond atomRefs2="a6 a67" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a67" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a70" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a44" order="S"/>
                     <bond atomRefs2="a11 a47" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a20" order="S"/>
                     <bond atomRefs2="a12 a70" order="S"/>
                     <bond atomRefs2="a12 a67" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a31" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a48" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a69" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a62" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a72" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a45" order="S"/>
                     <bond atomRefs2="a17 a48" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a18 a71" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a19 a66" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a69" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a55" order="S"/>
                     <bond atomRefs2="a21 a51" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a21 a43" order="S"/>
                     <bond atomRefs2="a22 a61" order="S"/>
                     <bond atomRefs2="a22 a68" order="S"/>
                     <bond atomRefs2="a22 a63" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a51" order="S"/>
                     <bond atomRefs2="a23 a63" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a71" order="S"/>
                     <bond atomRefs2="a25 a78" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a79" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a66" order="S"/>
                     <bond atomRefs2="a27 a58" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a27 a51" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a41" order="S"/>
                     <bond atomRefs2="a28 a46" order="S"/>
                     <bond atomRefs2="a28 a45" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a59" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a49" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a43" order="S"/>
                     <bond atomRefs2="a33 a46" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a79" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a38 a78" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a39 a48" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a49" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a41" 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">0.006 0.005 -0.001 0.003 0.007 0.015 0.010 0.005 0.008 0.011 -0.001 0.002 -0.000 0.001 0.004 0.001 0.004 0.004 0.001 0.005 -0.005 -0.003 -0.004 0.004 0.002 -0.001 -0.002 -0.004 -0.001 0.004 -0.001 -0.003 0.005 0.004 -0.002 -0.001 -0.001 0.013 -0.005 -0.005 0.003 0.003 0.004 0.000 0.011 -0.001 0.007 0.008 0.003 0.004 0.007 -0.001 0.004 0.002 0.012 -0.001 0.002 0.008 -0.003 0.006 0.007 0.010 0.014 0.005 0.009 0.002 0.011 0.008 0.004 0.008 0.001 0.010 0.001 0.010 0.012 0.005 0.007 0.006 0.002 0.015</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="80">0.008 0.005 -0.003 0.007 0.007 0.024 0.016 0.003 0.009 0.017 -0.002 0.002 0.000 0.002 0.005 0.002 0.005 0.005 0.002 0.005 -0.000 -0.003 -0.001 0.005 0.001 0.001 -0.002 -0.001 0.002 0.002 0.001 -0.003 0.003 0.008 -0.000 0.000 -0.001 0.012 0.002 0.004 0.084 0.077 0.138 0.007 0.191 -0.014 0.055 0.102 -0.038 0.044 0.223 -0.012 0.081 -0.046 0.192 -0.015 0.017 0.075 -0.102 0.030 0.104 0.157 0.227 0.063 0.111 0.016 0.129 0.106 0.020 0.092 0.040 0.161 0.002 0.162 0.196 0.073 0.083 0.035 -0.025 0.147</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="80">1.087 1.430 1.353 1.448 1.511 1.479 1.423 1.418 1.487 1.491 -0.001 0.001 -0.000 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.547 0.058 0.554 -0.456 -0.368 -0.387 -0.017 0.561 -0.365 -0.341 0.006 0.002 -0.006 0.010 0.006 0.006 0.001 0.010 0.019 0.022 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">1.102 1.440 1.348 1.458 1.525 1.518 1.448 1.426 1.504 1.518 -0.004 0.005 0.000 0.004 0.010 0.003 0.010 0.011 0.004 0.011 0.543 0.052 0.548 -0.447 -0.365 -0.386 -0.021 0.556 -0.364 -0.335 0.007 -0.003 0.002 0.022 0.004 0.005 -0.001 0.035 0.016 0.021 0.087 0.079 0.142 0.007 0.203 -0.016 0.061 0.110 -0.035 0.048 0.230 -0.013 0.084 -0.044 0.203 -0.016 0.019 0.083 -0.105 0.036 0.111 0.167 0.241 0.067 0.120 0.018 0.140 0.115 0.023 0.100 0.041 0.171 0.003 0.172 0.208 0.078 0.089 0.041 -0.023 0.163</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.310</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">3.137</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">13.994</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">17.441</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-420.59759585</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-420.58970911</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-420.59365248</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.5084</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2650479E-02</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ni"
                        id="a1"
                        x3="6.33037"
                        xFract="0.75004384"
                        y3="4.22615"
                        yFract="0.50072867"
                        z3="8.51414"
                        zFract="0.38317462"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="6.32735"
                        xFract="0.74968602"
                        y3="6.33076"
                        yFract="0.75009005"
                        z3="6.38101"
                        zFract="0.28717417"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="-0.01501"
                        xFract="-0.00177844"
                        y3="6.3331"
                        yFract="0.7503673"
                        z3="8.46045"
                        zFract="0.38075833"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="-0.01579"
                        xFract="-0.00187085"
                        y3="2.11862"
                        yFract="0.25102133"
                        z3="8.54004"
                        zFract="0.38434023"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="2.11524"
                        xFract="0.25062085"
                        y3="4.24562"
                        yFract="0.50303555"
                        z3="4.29678"
                        zFract="0.19337444"/>
                  <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="4.22874"
                        xFract="0.50103555"
                        y3="6.33452"
                        yFract="0.75053555"
                        z3="8.47871"
                        zFract="0.38158011"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="2.08089"
                        xFract="0.24655095"
                        y3="-0.00241"
                        yFract="-0.00028555"
                        z3="8.56134"
                        zFract="0.38529883"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.08607"
                        xFract="0.24716469"
                        y3="4.23029"
                        yFract="0.50121919"
                        z3="8.55374"
                        zFract="0.3849568"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="4.21957"
                        xFract="0.49994905"
                        y3="6.33312"
                        yFract="0.75036967"
                        z3="4.21639"
                        zFract="0.18975653"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="6.33892"
                        xFract="0.75105687"
                        y3="2.09016"
                        yFract="0.24764929"
                        z3="6.41397"
                        zFract="0.28865752"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="2.11325"
                        xFract="0.25038507"
                        y3="6.33755"
                        yFract="0.75089455"
                        z3="6.43194"
                        zFract="0.28946625"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="-0.00104"
                        xFract="-0.00012322"
                        y3="6.33761"
                        yFract="0.75090166"
                        z3="4.24938"
                        zFract="0.19124122"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="4.26267"
                        xFract="0.50505569"
                        y3="2.11508"
                        yFract="0.2506019"
                        z3="8.5507"
                        zFract="0.38481998"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.3292"
                        xFract="0.74990521"
                        y3="0.03112"
                        yFract="0.0036872"
                        z3="4.19403"
                        zFract="0.18875023"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="-0.00769"
                        xFract="-0.00091114"
                        y3="2.11983"
                        yFract="0.25116469"
                        z3="4.27433"
                        zFract="0.19236409"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.23323"
                        xFract="0.50156754"
                        y3="2.1164"
                        yFract="0.25075829"
                        z3="4.27583"
                        zFract="0.19243159"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="6.33069"
                        xFract="0.75008175"
                        y3="-0.00966"
                        yFract="-0.00114455"
                        z3="8.67734"
                        zFract="0.39051935"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="4.25698"
                        xFract="0.50438152"
                        y3="0.00481"
                        yFract="0.00056991"
                        z3="6.44541"
                        zFract="0.29007246"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="-0.0085"
                        xFract="-0.00100711"
                        y3="4.21203"
                        yFract="0.49905569"
                        z3="6.41567"
                        zFract="0.28873402"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="2.10927"
                        xFract="0.24991351"
                        y3="0.01599"
                        yFract="0.00189455"
                        z3="4.25994"
                        zFract="0.19171647"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="6.32499"
                        xFract="0.7494064"
                        y3="4.21434"
                        yFract="0.49932938"
                        z3="4.23666"
                        zFract="0.19066877"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="4.22453"
                        xFract="0.50053673"
                        y3="4.20822"
                        yFract="0.49860427"
                        z3="6.42218"
                        zFract="0.289027"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="-0.04013"
                        xFract="-0.00475474"
                        y3="0.00508"
                        yFract="0.0006019"
                        z3="6.44699"
                        zFract="0.29014356"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="2.12216"
                        xFract="0.25144076"
                        y3="2.10664"
                        yFract="0.2496019"
                        z3="6.44788"
                        zFract="0.29018362"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <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="-0.01749"
                        xFract="-0.00207227"
                        y3="2.10248"
                        yFract="0.249109"
                        z3="6.47979"
                        zFract="0.29161971"/>
                  <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="2.10712"
                        xFract="0.24965877"
                        y3="-0.02246"
                        yFract="-0.00266114"
                        z3="6.47666"
                        zFract="0.29147885"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a46"
                        x3="-0.01095"
                        xFract="-0.00129739"
                        y3="-0.04002"
                        yFract="-0.00474171"
                        z3="4.22712"
                        zFract="0.19023942"/>
                  <atom elementType="O"
                        id="a47"
                        x3="-0.08215"
                        xFract="-0.00973341"
                        y3="-0.01043"
                        yFract="-0.00123578"
                        z3="8.62431"
                        zFract="0.38813276"/>
                  <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="2.10053"
                        xFract="0.24887796"
                        y3="2.1430"
                        yFract="0.25390995"
                        z3="4.30145"
                        zFract="0.19358461"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.12867"
                        xFract="0.25221209"
                        y3="2.11498"
                        yFract="0.25059005"
                        z3="8.65843"
                        zFract="0.38966832"/>
                  <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="4.25579"
                        xFract="0.50424052"
                        y3="2.10334"
                        yFract="0.2492109"
                        z3="6.48846"
                        zFract="0.2920099"/>
                  <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="6.33071"
                        xFract="0.75008412"
                        y3="-0.02242"
                        yFract="-0.0026564"
                        z3="6.21013"
                        zFract="0.2794838"/>
                  <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="4.22957"
                        xFract="0.50113389"
                        y3="-0.02907"
                        yFract="-0.00344431"
                        z3="4.2248"
                        zFract="0.19013501"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.28844"
                        xFract="0.508109"
                        y3="-0.00808"
                        yFract="-0.00095735"
                        z3="8.62326"
                        zFract="0.38808551"/>
                  <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="6.3492"
                        xFract="0.75227488"
                        y3="2.21282"
                        yFract="0.26218246"
                        z3="4.34544"
                        zFract="0.19556436"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.34381"
                        xFract="0.75163626"
                        y3="2.1992"
                        yFract="0.26056872"
                        z3="8.53123"
                        zFract="0.38394374"/>
                  <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="-0.01137"
                        xFract="-0.00134716"
                        y3="6.34032"
                        yFract="0.75122275"
                        z3="6.40586"
                        zFract="0.28829253"/>
                  <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="2.11034"
                        xFract="0.25004028"
                        y3="4.25135"
                        yFract="0.50371445"
                        z3="6.46659"
                        zFract="0.29102565"/>
                  <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="0.07564"
                        xFract="0.00896209"
                        y3="4.27345"
                        yFract="0.50633294"
                        z3="4.28416"
                        zFract="0.19280648"/>
                  <atom elementType="O"
                        id="a67"
                        x3="-0.07522"
                        xFract="-0.00891232"
                        y3="4.23573"
                        yFract="0.50186374"
                        z3="8.59912"
                        zFract="0.3869991"/>
                  <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="2.11056"
                        xFract="0.25006635"
                        y3="6.32836"
                        yFract="0.74980569"
                        z3="4.36267"
                        zFract="0.19633978"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.09893"
                        xFract="0.24868839"
                        y3="6.33148"
                        yFract="0.75017536"
                        z3="8.56355"
                        zFract="0.38539829"/>
                  <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="4.23048"
                        xFract="0.50124171"
                        y3="6.33401"
                        yFract="0.75047512"
                        z3="6.4018"
                        zFract="0.28810981"/>
                  <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="6.32608"
                        xFract="0.74953555"
                        y3="4.23623"
                        yFract="0.50192299"
                        z3="6.44734"
                        zFract="0.29015932"/>
                  <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="4.14618"
                        xFract="0.49125355"
                        y3="4.25557"
                        yFract="0.50421445"
                        z3="4.25229"
                        zFract="0.19137219"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.27138"
                        xFract="0.50608768"
                        y3="4.23876"
                        yFract="0.50222275"
                        z3="8.60168"
                        zFract="0.38711431"/>
                  <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="6.32808"
                        xFract="0.74977251"
                        y3="6.23947"
                        yFract="0.7392737"
                        z3="4.28526"
                        zFract="0.19285599"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.33194"
                        xFract="0.75022986"
                        y3="6.24366"
                        yFract="0.73977014"
                        z3="8.43268"
                        zFract="0.37950855"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a74" order="S"/>
                  <bond atomRefs2="a1 a80" order="S"/>
                  <bond atomRefs2="a1 a77" order="S"/>
                  <bond atomRefs2="a1 a60" order="S"/>
                  <bond atomRefs2="a2 a58" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a2 a55" order="S"/>
                  <bond atomRefs2="a3 a74" order="S"/>
                  <bond atomRefs2="a3 a80" order="S"/>
                  <bond atomRefs2="a3 a79" order="S"/>
                  <bond atomRefs2="a3 a72" order="S"/>
                  <bond atomRefs2="a4 a51" order="S"/>
                  <bond atomRefs2="a4 a55" order="S"/>
                  <bond atomRefs2="a4 a58" order="S"/>
                  <bond atomRefs2="a4 a75" order="S"/>
                  <bond atomRefs2="a4 a48" order="S"/>
                  <bond atomRefs2="a5 a61" order="S"/>
                  <bond atomRefs2="a5 a68" order="S"/>
                  <bond atomRefs2="a5 a65" order="S"/>
                  <bond atomRefs2="a6 a70" order="S"/>
                  <bond atomRefs2="a6 a62" order="S"/>
                  <bond atomRefs2="a6 a67" order="S"/>
                  <bond atomRefs2="a7 a42" order="S"/>
                  <bond atomRefs2="a7 a47" order="S"/>
                  <bond atomRefs2="a7 a50" order="S"/>
                  <bond atomRefs2="a7 a67" order="S"/>
                  <bond atomRefs2="a8 a76" order="S"/>
                  <bond atomRefs2="a8 a66" order="S"/>
                  <bond atomRefs2="a8 a69" order="S"/>
                  <bond atomRefs2="a8 a49" 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 a72" order="S"/>
                  <bond atomRefs2="a10 a77" order="S"/>
                  <bond atomRefs2="a10 a80" order="S"/>
                  <bond atomRefs2="a10 a70" order="S"/>
                  <bond atomRefs2="a11 a50" order="S"/>
                  <bond atomRefs2="a11 a44" order="S"/>
                  <bond atomRefs2="a11 a47" order="S"/>
                  <bond atomRefs2="a11 a57" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a12 a70" order="S"/>
                  <bond atomRefs2="a12 a67" order="S"/>
                  <bond atomRefs2="a12 a64" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a50" order="S"/>
                  <bond atomRefs2="a12 a77" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a13 a76" order="S"/>
                  <bond atomRefs2="a13 a71" order="S"/>
                  <bond atomRefs2="a13 a72" order="S"/>
                  <bond atomRefs2="a13 a79" order="S"/>
                  <bond atomRefs2="a13 a69" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a14 a59" order="S"/>
                  <bond atomRefs2="a14 a60" order="S"/>
                  <bond atomRefs2="a14 a54" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a52" order="S"/>
                  <bond atomRefs2="a14 a31" order="S"/>
                  <bond atomRefs2="a14 a74" order="S"/>
                  <bond atomRefs2="a15 a48" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a45" order="S"/>
                  <bond atomRefs2="a15 a55" order="S"/>
                  <bond atomRefs2="a16 a70" order="S"/>
                  <bond atomRefs2="a16 a69" order="S"/>
                  <bond atomRefs2="a16 a64" order="S"/>
                  <bond atomRefs2="a16 a62" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a72" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a17 a45" order="S"/>
                  <bond atomRefs2="a17 a48" order="S"/>
                  <bond atomRefs2="a17 a65" order="S"/>
                  <bond atomRefs2="a18 a71" order="S"/>
                  <bond atomRefs2="a18 a78" order="S"/>
                  <bond atomRefs2="a18 a75" order="S"/>
                  <bond atomRefs2="a18 a68" order="S"/>
                  <bond atomRefs2="a19 a66" order="S"/>
                  <bond atomRefs2="a19 a61" order="S"/>
                  <bond atomRefs2="a19 a62" order="S"/>
                  <bond atomRefs2="a19 a69" order="S"/>
                  <bond atomRefs2="a20 a57" order="S"/>
                  <bond atomRefs2="a20 a52" order="S"/>
                  <bond atomRefs2="a20 a60" order="S"/>
                  <bond atomRefs2="a20 a77" order="S"/>
                  <bond atomRefs2="a20 a50" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a21 a55" order="S"/>
                  <bond atomRefs2="a21 a51" order="S"/>
                  <bond atomRefs2="a21 a53" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a22 a61" order="S"/>
                  <bond atomRefs2="a22 a68" order="S"/>
                  <bond atomRefs2="a22 a63" order="S"/>
                  <bond atomRefs2="a22 a71" order="S"/>
                  <bond atomRefs2="a23 a76" order="S"/>
                  <bond atomRefs2="a23 a71" order="S"/>
                  <bond atomRefs2="a23 a73" order="S"/>
                  <bond atomRefs2="a23 a75" order="S"/>
                  <bond atomRefs2="a23 a51" order="S"/>
                  <bond atomRefs2="a23 a63" order="S"/>
                  <bond atomRefs2="a24 a56" order="S"/>
                  <bond atomRefs2="a24 a53" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a25 a71" order="S"/>
                  <bond atomRefs2="a25 a78" order="S"/>
                  <bond atomRefs2="a25 a73" order="S"/>
                  <bond atomRefs2="a25 a79" order="S"/>
                  <bond atomRefs2="a26 a49" order="S"/>
                  <bond atomRefs2="a26 a41" order="S"/>
                  <bond atomRefs2="a26 a46" order="S"/>
                  <bond atomRefs2="a26 a66" order="S"/>
                  <bond atomRefs2="a27 a58" order="S"/>
                  <bond atomRefs2="a27 a53" order="S"/>
                  <bond atomRefs2="a27 a51" order="S"/>
                  <bond atomRefs2="a27 a73" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a46" order="S"/>
                  <bond atomRefs2="a28 a45" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a29 a76" order="S"/>
                  <bond atomRefs2="a29 a59" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a29 a49" order="S"/>
                  <bond atomRefs2="a30 a57" order="S"/>
                  <bond atomRefs2="a31 a56" order="S"/>
                  <bond atomRefs2="a31 a57" order="S"/>
                  <bond atomRefs2="a31 a52" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a66" order="S"/>
                  <bond atomRefs2="a32 a67" order="S"/>
                  <bond atomRefs2="a32 a62" order="S"/>
                  <bond atomRefs2="a32 a64" order="S"/>
                  <bond atomRefs2="a32 a42" order="S"/>
                  <bond atomRefs2="a33 a43" order="S"/>
                  <bond atomRefs2="a33 a46" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a33 a56" order="S"/>
                  <bond atomRefs2="a34 a76" order="S"/>
                  <bond atomRefs2="a34 a59" order="S"/>
                  <bond atomRefs2="a34 a74" order="S"/>
                  <bond atomRefs2="a34 a79" order="S"/>
                  <bond atomRefs2="a34 a73" order="S"/>
                  <bond atomRefs2="a35 a76" order="S"/>
                  <bond atomRefs2="a35 a74" order="S"/>
                  <bond atomRefs2="a35 a72" order="S"/>
                  <bond atomRefs2="a35 a77" order="S"/>
                  <bond atomRefs2="a35 a52" order="S"/>
                  <bond atomRefs2="a35 a64" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a44" order="S"/>
                  <bond atomRefs2="a36 a46" order="S"/>
                  <bond atomRefs2="a37 a50" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a49" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a64" order="S"/>
                  <bond atomRefs2="a37 a52" order="S"/>
                  <bond atomRefs2="a38 a78" order="S"/>
                  <bond atomRefs2="a38 a73" order="S"/>
                  <bond atomRefs2="a38 a75" order="S"/>
                  <bond atomRefs2="a38 a58" order="S"/>
                  <bond atomRefs2="a39 a48" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a39 a63" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a40 a66" order="S"/>
                  <bond atomRefs2="a40 a61" order="S"/>
                  <bond atomRefs2="a40 a63" order="S"/>
                  <bond atomRefs2="a40 a65" order="S"/>
                  <bond atomRefs2="a40 a41" 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>
